• Drug Bank
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 of 344
Records 2061 to 2080 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
DB02395 mol2, pdbqt 211,49 -1,434 290,318 -0,08 6 2 0 -0,36097 0,153815684263766 BBB- HIA+ Caco2-
DB02396 mol2, pdbqt 63,24 -0,469 59,1115 0,0042 1 1 0 -0,017712 0,739444552278787 BBB+ HIA+ Caco2+
DB02397 mol2, pdbqt 215,77 0,063 308,286 -5,5718 10 6 1 -5,0524 0,478747240134595 BBB- HIA- Caco2-
DB02398 mol2, pdbqt 247,94 -3,963 318,379 1,6947 5 4 0 0,80525 0,685215863280759 BBB+ HIA+ Caco2-
DB02399 mol2, pdbqt 121,27 0,039 166,172 -2,2191 5 5 0 -0,80532 0,387761085429341 BBB- HIA+ Caco2-
DB02400 mol2, pdbqt 263,14 -3,781 356,333 1,1012 8 0 0 -0,46618 0,336999154504061 BBB+ HIA+ Caco2-
DB02401 mol2, pdbqt 90,92 -0,125 130,059 -0,2843 6 2 0 0,99501 0,683658292952225 BBB+ HIA+ Caco2-
DB02402 mol2, pdbqt 214,44 -5,376 282,302 2,1052 6 2 0 -1,7066 0,381668488526406 BBB+ HIA+ Caco2+
DB02403 mol2, pdbqt 88,13 -2,006 111,119 1,0831 1 1 0 -3,2484 0,499046099488266 BBB+ HIA+ Caco2+
DB02404 mol2, pdbqt 288,35 -0,66 342,451 -0,5717 7 1 0 -24,43 0,222393552276894 BBB+ HIA+ Caco2-
DB02405 mol2, pdbqt 207,59 -3,702 279,217 4,6052 2 1 0 -33,255 0,044680594675584 BBB+ HIA+ Caco2+
DB02406 mol2, pdbqt 91,14 -1,269 102,132 1,0641 2 1 0 -7,0646 0,292669839738453 BBB+ HIA+ Caco2+
DB02407 mol2, pdbqt 193,79 -4,184 247,301 1,7029 6 2 0 -4,7502 0,409719908671134 BBB+ HIA+ Caco2-
DB02408 mol2, pdbqt 162,91 -1,544 202,297 0,2387 4 4 0 -3,0748 0,504921077388523 BBB- HIA+ Caco2-
DB02409 mol2, pdbqt 109,34 -1,925 139,241 1,6021 1 1 0 -1,018 0,604770697644952 BBB+ HIA+ Caco2+
DB02410 mol2, pdbqt 318,81 1,174 467,355 -5,1931 12 4 1 -24,819 0,239251830016461 BBB+ HIA- Caco2-
DB02411 mol2, pdbqt 444,04 -3,576 588,724 1,6266 11 4 2 -2,7904 0,295065489971254 BBB- HIA+ Caco2-
DB02412 mol2, pdbqt 78,8 -1,261 86,1334 0,888 1 0 0 -11,472 0,488521537455666 BBB+ HIA+ Caco2+
DB02413 mol2, pdbqt 123,74 -0,506 165,212 -3,2716 4 3 0 -6,3135 0,493669380621105 BBB- HIA+ Caco2-
DB02414 mol2, pdbqt 172 -0,882 234,258 -1,0256 6 2 0 6,2503 0,970250467283589 BBB- HIA+ Caco2-
Page 
 of 344
Records 2061 to 2080 of 6870
These data are only available for scientific research purposes.