• Drug Bank
Page 
 of 344
Records 1821 to 1840 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02131 mol2, pdbqt 150,43 -2,712 157,256 2,4941 2 1 0 -13,696 0,455283510483043 BBB+ HIA+ Caco2+
DB02132 mol2, pdbqt 267,64 -5,099 441,639 3,1033 6 1 0 -5,9645 0,288307777286594 BBB+ HIA+ Caco2-
DB02133 mol2, pdbqt 706,86 -11,028 871,216 12,7 9 2 2 -11,275 0,038039827917779 BBB+ HIA+ Caco2-
DB02134 mol2, pdbqt 106,51 -1,867 152,113 -0,9224 6 3 0 3,2262 0,951872517290044 BBB+ HIA+ Caco2-
DB02135 mol2, pdbqt 300,26 -0,394 454,328 -5,3332 15 8 2 -16,375 0,406394766964672 BBB- HIA- Caco2-
DB02136 mol2, pdbqt 548,97 -3,094 750,78 -3,5375 19 10 3 1,4368 0,442566332473177 BBB- HIA- Caco2-
DB02137 mol2, pdbqt 463,39 0,759 844,475 -7,1275 24 10 3 -33,31 0,162267371793329 BBB+ HIA- Caco2-
DB02138 mol2, pdbqt 195,09 -3,232 242,254 2,1447 3 0 0 -39,199 0,441156525503782 BBB+ HIA+ Caco2+
DB02139 mol2, pdbqt 317,7 -5,072 444,347 4,5766 4 0 0 -0,7779 0,324519106257236 BBB+ HIA+ Caco2+
DB02140 mol2, pdbqt 328,06 -1,692 410,472 0,2405 8 2 0 -4,2641 0,432752770388523 BBB- HIA+ Caco2-
DB02141 mol2, pdbqt 220,94 -2,164 282,435 1,2478 4 4 0 -0,84933 0,603167467013114 BBB+ HIA+ Caco2-
DB02142 mol2, pdbqt 173,14 0,843 248,174 -5,8521 7 4 0 -20,535 0,487677702091356 BBB+ HIA- Caco2-
DB02143 mol2, pdbqt 100,1 -0,771 117,151 -0,7179 4 4 0 2,6859 0,572860997462745 BBB+ HIA+ Caco2-
DB02144 mol2, pdbqt 688,69 -7,087 837,077 8,3965 13 6 4 -63,721 7,28797846635055E-02 BBB+ HIA- Caco2-
DB02145 mol2, pdbqt 73,39 -1,017 74,1224 0,9593 1 1 0 -6,3463 0,105954766956212 BBB+ HIA+ Caco2+
DB02146 mol2, pdbqt 367,76 -3,397 486,552 -4,2365 14 7 2 -11,205 0,352790578214771 BBB- HIA- Caco2-
DB02147 mol2, pdbqt 144,56 -1,178 399,788 1,3268 12 4 1 -2,5375 0,463750800441816 BBB+ HIA- Caco2-
DB02148 mol2, pdbqt 161,81 -1,797 193,245 0,3327 3 1 0 -6,2513 0,289731506100354 BBB+ HIA+ Caco2+
DB02151 mol2, pdbqt 128,26 -0,181 185,183 -5,2603 4 3 0 -13,073 0,492421915374121 BBB+ HIA+ Caco2-
DB02152 mol2, pdbqt 308,23 -6,49 467,48 4,0177 8 2 0 1,9148 0,381914302368002 BBB- HIA+ Caco2-
Page 
 of 344
Records 1821 to 1840 of 6870
These data are only available for scientific research purposes.