• Drug Bank
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 of 344
Records 981 to 1000 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB01139 mol2, pdbqt 176,5 -1,84 423,469 -0,0616 9 2 0 11,452 0,837260088422704 BBB- HIA- Caco2-
DB01140 mol2, pdbqt 158,26 -1,387 363,393 -2,3737 8 4 0 7,9062 0,906203598856161 BBB- HIA- Caco2-
DB01141 mol2, pdbqt 518,52 -4,236 1270,29 -5,0842 32 16 3 -0,82977 0,164495099065688 BBB- HIA+ Caco2-
DB01142 mol2, pdbqt 12,47 -3,377 279,382 3,4331 2 0 0 3,127 0,476179342918942 BBB+ HIA+ Caco2+
DB01143 mol2, pdbqt 130,69 1,278 214,225 -6,9869 5 4 0 -8,8561 0,106220034878728 BBB- HIA- Caco2-
DB01144 mol2, pdbqt 137,08 -2,886 305,162 0,3996 6 2 0 0,26186 0,422570707242576 BBB+ HIA+ Caco2-
DB01145 mol2, pdbqt 179,6 -4,256 404,487 -2,175 8 4 0 0,70008 0,492107705626232 BBB+ HIA- Caco2-
DB01146 mol2, pdbqt 12,47 -3,075 281,398 3,7071 2 0 0 6,4188 0,806598303148124 BBB+ HIA+ Caco2+
DB01147 mol2, pdbqt 138,04 -4,051 435,887 2,7038 8 2 0 10,462 0,414670392913318 BBB- HIA+ Caco2-
DB01148 mol2, pdbqt 55,84 -4,388 391,466 4,5588 5 0 0 3,2754 0,464999307589457 BBB+ HIA+ Caco2+
DB01149 mol2, pdbqt 51,62 -4,098 470,015 4,0888 7 0 0 9,8939 0,582348792072271 BBB+ HIA+ Caco2+
DB01150 mol2, pdbqt 158,26 -1,699 389,431 -1,7171 8 4 0 7,8349 0,87854706607368 BBB- HIA- Caco2-
DB01151 mol2, pdbqt 15,27 -4,279 266,387 3,6244 2 1 0 2,1225 0,248942727996613 BBB+ HIA+ Caco2+
DB01153 mol2, pdbqt 55,29 -5,584 437,777 5,0834 3 0 1 5,0186 0,336046955942124 BBB+ HIA+ Caco2+
DB01154 mol2, pdbqt 90,29 -2,88 254,353 1,9262 4 2 0 -0,9248 0,125140626498442 BBB+ HIA+ Caco2-
DB01155 mol2, pdbqt 121,35 -4,09 389,386 -1,6317 9 2 0 3,095 0,749642027823185 BBB- HIA+ Caco2-
DB01156 mol2, pdbqt 29,1 -3,686 239,745 2,6693 2 1 0 3,3755 0,822631367378365 BBB+ HIA+ Caco2+
DB01157 mol2, pdbqt 117,54 -4,842 369,424 1,9786 8 3 0 -0,27024 0,49212707224496 BBB+ HIA+ Caco2+
DB01158 mol2, pdbqt 3,24 -1,999 243,167 1,426 1 0 0 2,8577 0,916312249330021 BBB+ HIA+ Caco2+
DB01159 mol2, pdbqt 0 -2,564 197,381 2,224 0 0 0 -12,683 0,1324245497451 BBB+ HIA+ Caco2+
Page 
 of 344
Records 981 to 1000 of 6870
These data are only available for scientific research purposes.