• Drug Bank
Page 
 of 344
Records 1781 to 1800 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02090 mol2, pdbqt 333,55 -2,154 415,529 0,5029 9 4 0 -0,50797 0,576702618669435 BBB- HIA+ Caco2-
DB02091 mol2, pdbqt 158,28 -2,5 206,272 1,3498 4 1 0 2,092 0,88485748980078 BBB+ HIA+ Caco2+
DB02092 mol2, pdbqt 563,32 -10,513 649,096 14,433 2 0 2 -24,975 0,07174135018134 BBB+ HIA+ Caco2+
DB02093 mol2, pdbqt 165,95 1,64 261,122 -5,5504 10 7 1 -22,2 0,388974305866529 BBB+ HIA- Caco2-
DB02094 mol2, pdbqt 153,23 0,129 199,037 1,244 4 3 0 -7,5492 0,486609457548651 BBB+ HIA+ Caco2-
DB02095 mol2, pdbqt 106,72 -2,188 147,133 0,2181 3 1 0 -1,2839 0,350723920705275 BBB+ HIA+ Caco2+
DB02096 mol2, pdbqt 207,38 -1,025 259,308 0,8069 5 2 0 -0,83283 0,623823656933178 BBB+ HIA+ Caco2-
DB02097 mol2, pdbqt 165,35 -0,731 243,218 -3,0346 8 4 0 -4,6735 0,490069054645766 BBB+ HIA+ Caco2-
DB02098 mol2, pdbqt 261,41 0,835 427,202 -8,3976 15 6 2 -19,224 0,425750575468331 BBB+ HIA+ Caco2-
DB02099 mol2, pdbqt 197,97 -2,283 208,367 3,7086 1 1 0 1,966 0,799555339465359 BBB+ HIA+ Caco2+
DB02100 mol2, pdbqt 133,92 0,123 194,182 -2,1929 6 4 0 -7,2849 0,492478021989471 BBB- HIA- Caco2-
DB02101 mol2, pdbqt 184,58 -1,875 279,226 -0,8011 7 4 0 0,13958 0,72537030930084 BBB+ HIA+ Caco2-
DB02102 mol2, pdbqt 412,17 -5,618 536,674 3,9509 7 4 1 3,4114 0,402327097529491 BBB+ HIA+ Caco2+
DB02103 mol2, pdbqt 186,41 -3,628 269,691 0,8127 7 2 0 -2,8276 0,457008597029118 BBB+ HIA+ Caco2-
DB02104 mol2, pdbqt 296,3 -4,868 384,439 1,51 9 2 0 2,4033 0,651467500177236 BBB+ HIA+ Caco2+
DB02105 mol2, pdbqt 133,3 -1,944 200,106 -0,875 8 2 0 -7,5665 0,481826095959549 BBB- HIA+ Caco2-
DB02106 mol2, pdbqt 343,18 -6,087 553,246 4,3824 6 5 1 -0,97533 0,221274837092345 BBB+ HIA+ Caco2-
DB02107 mol2, pdbqt 97,56 -1,631 101,192 1,1391 1 1 0 -6,0696 0,388572666561276 BBB+ HIA+ Caco2+
DB02108 mol2, pdbqt 57,88 0,559 58,0836 -1,8853 2 2 0 -1,7657 0,57023176339474 BBB+ HIA+ Caco2+
DB02109 mol2, pdbqt 87,55 -0,173 119,076 -2,0173 5 2 0 -2,9368 0,312110301073568 BBB+ HIA- Caco2-
Page 
 of 344
Records 1781 to 1800 of 6870
These data are only available for scientific research purposes.