StructureID Parent Molecular Weight ampcd_CurveClass ampcd_hillCoefficient Polar Surface Area ALogP ampcd_AC50_uM ampcnd_AC50_uM ampcnd_CurveClass ampcd_DeltaActivity ampcnd_DeltaActivity ampcnd_hillCoefficient pubchem_sid pubchem_link source_compound_name supplier_compound_id supplier_name NCGC00011386-01 374.4 -3 2.638 72.06 4.3 12.59 4 59.2 12.73 4238857 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238857 PCOP-466795 Pharmacopeia NCGC00025286-01 317.2 -3 2.406 16.13 3.84 19.95 0.7943 4 74 33.9 4.955 11114207 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11114207 Zimelidine dihydrochloride Tocris-1767 Tocris NCGC00032630-01 243.3 -3 1.862 42.23 2.97 12.59 15.85 4 45.01 27.9 4.955 852148 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=852148 852148 DPISMR NCGC00045779-01 246.3 -3 2.473 35.53 2.98 10 12.59 4 54.53 20.75 1 4252056 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4252056 4252056 DPISMR NCGC00046603-01 338.4 -3 4.955 73.59 3.29 15.85 0.3981 4 71.75 26.1 4.955 4242200 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242200 4242200 DPISMR NCGC00053759-01 464.6 -3 2.533 76.15 3.68 12.59 12.59 4 32.92 26.87 1.464 4256731 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256731 4256731 DPISMR NCGC00057099-01 499.6 -3 4.955 104.4 5.36 15.85 4 63.45 15.62 4257387 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4257387 4257387 DPISMR NCGC00063688-01 430.5 -3 3.065 92.26 2.45 3.981 19.95 4 53.47 20.86 1.1 4250531 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4250531 4250531 DPISMR NCGC00073174-01 383.4 -3 4.955 84.98 4.18 15.85 4 37.21 14.94 842132 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=842132 842132 DPISMR NCGC00010058-01 337.4 -2.2 1.248 74.49 4.18 10 0.631 4 46.48 29.58 1.464 4237529 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237529 PCOP-21053 Pharmacopeia NCGC00011339-01 342.4 -2.2 1.594 59.93 4.31 12.59 4 37.56 16.3 4238810 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238810 PCOP-444671 Pharmacopeia NCGC00011632-01 371.4 -2.2 1.344 56.27 4.93 12.59 1.259 4 36.28 31.6 0.4 4239103 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239103 PCOP-556193 Pharmacopeia NCGC00012480-01 321.4 -2.2 1.248 47.48 3.14 10 4 50.04 9.271 4239951 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239951 PCOP-841771 Pharmacopeia NCGC00025080-01 420.2 -2.2 2.253 141.1 1.93 15.85 1.995 4 71.25 29.66 0.6 11113998 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113998 SDZ 220-040 Tocris-1251 Tocris NCGC00025360-01 226.3 -2.2 2.253 16.96 2.62 15.85 0.631 4 79.31 31.64 1.885 11114281 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11114281 WAY 629 Tocris-2173 Tocris NCGC00055631-01 336.4 -2.2 1.416 58.97 3.61 5.012 15.85 4 49.91 28.64 1.1 4256562 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256562 4256562 DPISMR NCGC00062188-01 267.2 -2.2 1.031 65.49 1.99 10 12.59 4 46.61 29.52 1.509 4259683 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4259683 4259683 DPISMR NCGC00049802-01 499.3 -3 4.955 89.29 4.52 15.85 6.31 2.2 73.22 80.65 1.66 4242161 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4242161 4242161 DPISMR NCGC00057686-01 364.5 -3 4.955 57.69 2.14 15.85 12.59 2.2 71.06 58.12 2.303 4263575 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4263575 4263575 DPISMR NCGC00010694-01 345.4 -2.2 1.344 51.39 4.53 10 6.31 2.2 67.1 51.35 1.967 4238165 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238165 PCOP-230557 Pharmacopeia NCGC00012244-01 279.3 -2.2 1 38.25 3.37 10 6.31 2.2 42.66 74.18 1.826 4239715 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4239715 PCOP-768422 Pharmacopeia NCGC00067197-01 447.9 -1.1 1.1 111.4 4.06 0.7943 1.259 -1.1 92.24 85.83 1.714 862514 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862514 862514 DPISMR NCGC00067552-01 436.3 -1.1 1.1 111.4 3.42 0.0158 0.0398 -1.1 86.81 75.29 1.66 864201 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864201 864201 DPISMR NCGC00010352-01 401.5 -2.2 1.344 65.5 4.93 12.59 7.943 -2.2 38.91 36.73 1.222 4237823 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237823 PCOP-114523 Pharmacopeia NCGC00010792-01 291.4 -2.2 1.416 47.04 3.76 10 12.59 -2.2 79.71 53.43 1.539 4238263 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4238263 PCOP-265697 Pharmacopeia NCGC00012758-01 287.3 -2.2 0.9 74.49 3.02 10 5.012 -2.2 51.22 49.56 0.9 4240229 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240229 PCOP-932269 Pharmacopeia NCGC00012772-01 291.4 -2.2 1.509 47.04 3.76 7.943 5.012 -2.2 48.46 47.72 0.9 4240243 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240243 PCOP-934902 Pharmacopeia NCGC00012821-01 347.4 -2.2 1.372 47.04 4.98 10 6.31 -2.2 53.3 60.23 0.7 4240292 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4240292 PCOP-948415 Pharmacopeia NCGC00014214-01 314.2 -2.2 1.967 124.3 1.79 1.995 1.585 -2.2 61.54 76.55 1.66 4253661 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253661 NSC-119911 NCI NCGC00014215-01 394.4 -2.2 2.333 124.3 2.92 1.995 2.512 -2.2 55.61 57.4 1.928 4253662 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253662 NSC-119913 NCI NCGC00015040-01 422.3 -2.2 1 169.4 2.45 10 7.943 -2.2 53.08 57.55 0.7 11110719 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11110719 Aurintricarboxylic acid Lopac-A-1895 SigmaAldrich NCGC00054235-01 284.3 -2.2 1.372 70.42 1.84 10 10 -2.2 53.61 54 1 4260118 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4260118 4260118 DPISMR NCGC00063672-01 352.2 -2.2 1.1 86.63 3.11 10 12.59 -2.2 57.96 76.56 1.372 863077 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863077 863077 DPISMR NCGC00064060-01 423.5 -2.2 1 111.4 3.96 7.943 10 -2.2 84.34 51.59 2.188 862668 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=862668 862668 DPISMR NCGC00067635-01 461.5 -2.2 1.248 111.4 3.99 5.012 3.981 -2.2 70.2 41.57 2.406 864316 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864316 864316 DPISMR NCGC00067676-01 423.5 -2.2 1.134 111.4 3.96 3.981 7.943 -2.2 76.5 51.26 1.627 864233 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=864233 864233 DPISMR NCGC00070387-01 260.2 -2.2 2.333 69.67 1.72 7.943 12.59 -2.2 52.77 40.47 1.66 858111 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=858111 858111 DPISMR NCGC00071066-01 443.5 -2.2 1.222 111.4 3.85 12.59 3.162 -2.2 53.01 46.3 0.5 865300 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=865300 865300 DPISMR NCGC00071986-01 227.2 -2.2 1.558 60.92 2.02 10 10 -2.2 38.91 40.27 1.862 4256116 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4256116 4256116 DPISMR NCGC00074092-01 327.4 -2.2 1 99.08 2.23 2.512 2.512 -2.2 70.34 84.65 1.1 863619 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=863619 863619 DPISMR NCGC00017245-01 302.2 -2.4 0.6 133.5 1.24 15.85 7.943 -2.4 51.48 44.18 0.4 11113162 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113162 TNP00132 Timtec NCGC00010092-01 252.3 -2.2 1.248 52.83 2.34 12.59 10 -2.4 35.1 41.29 1.885 4237563 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4237563 PCOP-33390 Pharmacopeia NCGC00025162-01 266.5 -2.2 1.627 9.23 2.93 15.85 15.85 -2.4 72.08 63.49 0.7 11114083 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11114083 D609 Tocris-1437 Tocris NCGC00039563-01 334.4 -3 3.677 39.15 2.55 12.59 15.85 -3 37.85 56.19 4.955 3715736 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3715736 3715736 DPISMR NCGC00082725-01 298.3 -3 2.638 56.4 3.1 12.59 10 -3 55.07 48.98 3.192 7969362 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7969362 7969362 DPISMR NCGC00017120-01 471.5 -3 4.449 163.3 -0.73 10 7.943 -3 38.97 57.46 2.638 11113036 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113036 Cefmetazole sodium salt CAS-56796-39-5 Prestwick NCGC00016797-01 365.4 -1.2 0.6 133 0.02 0.3162 1.259 -2.2 53.11 67.58 0.5 11112708 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112708 Amoxicillin CAS-26787-78-0 Prestwick NCGC00016552-01 272.3 -2.4 1.479 109.9 -0.87 5.012 5.012 -2.4 43.98 43.66 1.416 11112457 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112457 "Cephalosporanic acid, 7-amino" CAS-957-68-6 Prestwick NCGC00016130-01 556.6 -2.2 1.478 212.5 -1.29 12.59 12.59 -2.2 55.65 52.68 1.464 11112009 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112009 Ceftriaxone sodium Lopac-C-5793 SigmaAldrich NCGC00017046-01 386.4 -2.2 0.7 124 0.01 5.012 3.981 -2.2 78.84 87.35 0.6 11112962 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112962 Ticarcillin sodium CAS-4697-14-7 Prestwick NCGC00017105-01 429.5 -2.2 0.8 148.3 -0.44 5.012 5.012 -2.2 77.42 77.65 0.7 11113021 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113021 Cefoxitin sodium salt CAS-33564-30-6 Prestwick NCGC00017106-01 461.5 -2.2 1.885 148.1 0.09 7.943 5.012 -2.2 62.07 70.84 0.9 11113022 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113022 Azlocillin sodium salt CAS-37091-65-9 Prestwick NCGC00013909-01 301.4 -2.2 1.558 112.7 -0.64 1.259 0.5012 -2.2 58.39 80.31 0.6 4253356 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253356 NSC-86714 NCI NCGC00017304-01 349.4 -1.2 0.5 112.7 0.32 0.01585 0.05012 -1.4 50.95 61.3 0.9 11113222 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113222 TNP00228 Timtec NCGC00017128-01 457.5 -1.2 1 173.5 -1.16 1.259 1.259 -2.1 86.94 94.32 0.8 11113044 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113044 Cefotaxime sodium salt CAS-64485-93-4 Prestwick NCGC00016938-01 453.4 -1.1 1.1 184.5 -0.54 0.1995 0.3162 -1.2 93.17 71.88 1.21 11112854 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112854 Cefixime CAS-79350-37-1 Prestwick NCGC00017019-01 364.4 -1.1 1.464 95.94 1.09 0.631 0.2512 -1.2 92.81 82.65 1.416 11112935 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112935 Phenethicillin potassium salt CAS-132-93-4 Prestwick NCGC00017029-01 435.9 -1.1 2.333 112.7 2.55 0.002 0.0016 -1.2 83.17 69.57 2.333 11112945 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112945 Cloxacillin sodium salt CAS-642-78-4 Prestwick NCGC00013926-01 341.4 -1.1 4.955 112.7 0.28 0.01 0.01 -1.1 97.86 95.29 1 4253373 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4253373 NSC-88789 NCI NCGC00014633-01 453.9 -1.1 1.558 112.7 2.69 0.0398 0.0251 -1.1 83.68 85.02 1.66 4254080 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4254080 NSC-277175 NCI NCGC00016629-01 341.4 -1.1 1.372 112.7 0.28 0.0126 0.0063 -1.1 82.86 93.22 1.344 11112536 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112536 Cyclacillin CAS-3485-14-1 Prestwick NCGC00016936-01 435.4 -1.1 1.248 201.6 -1.17 0.002 8.00E-04 -1.1 72.36 65.48 1.416 11112852 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112852 Aztreonam CAS-78110-38-0 Prestwick NCGC00017036-01 453.9 -1.1 1.885 112.7 2.69 0.002 0.0016 -1.1 82.35 96.43 4.955 11112952 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112952 Flucloxacillin sodium CAS-1847-24-1 Prestwick NCGC00017065-01 361.4 -1.1 1.1 99.07 1.06 0.1585 0.1259 -1.1 98.34 102.2 0.8 11112981 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112981 Metampicillin sodium salt CAS-6489-61-8 Prestwick NCGC00017070-01 414.5 -1.1 1.372 95.94 2.48 0.0501 0.0316 -1.1 91.49 75.29 1.626 11112986 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112986 Nafcillin sodium salt monohydrate CAS-7177-50-6 Prestwick NCGC00017079-01 470.3 -1.1 1.539 112.7 3.2 0.0025 0.0016 -1.1 79.64 80.11 2.333 11112995 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112995 Dicloxacillin sodium salt CAS-13412-64-1 Prestwick NCGC00017118-01 424.4 -1.1 0.9 173.8 -0.54 0.0794 0.0398 -1.1 94.11 93.61 0.9 11113034 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11113034 Cefuroxime sodium salt CAS-56238-63-2 Prestwick NCGC00016845-01 481.5 -1.2 1.479 128 1.65 0.0316 0.0398 -1.2 63.47 72.65 1.558 11112758 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112758 Talampicillin hydrochloride CAS-39878-70-1 Prestwick NCGC00017069-01 349.4 -1.2 1 112.7 0.32 0.1995 0.1995 -1.2 71.89 69.88 1 11112985 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112985 Ampicillin trihydrate CAS-7177-48-2 Prestwick NCGC00016823-01 463.5 -3 4.449 128 1.32 7.943 5.012 4 53.91 28.07 4.955 11112735 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11112735 Pivampicillin CAS-33817-20-8 Prestwick