• Drug Bank
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Records 1421 to 1440 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
DB01699 mol2, pdbqt 110,61 -1,318 129,158 -1,025 3 2 0 -4,9945 0,296231614323543 BBB+ HIA+ Caco2-
DB01700 mol2, pdbqt 215,44 0,379 338,212 -6,1716 12 6 2 -18,802 0,46754892052748 BBB+ HIA- Caco2-
DB01701 mol2, pdbqt 82,86 -1,982 112,987 1,8422 0 0 0 -4,9581 8,28454954316732E-02 BBB+ HIA+ Caco2+
DB01702 mol2, pdbqt 123,82 -1,002 168,148 0,4514 4 3 0 -1,7208 0,337506980787441 BBB- HIA+ Caco2-
DB01703 mol2, pdbqt 141,73 -0,572 309,145 -0,3803 3 0 0 -9,2066 0,473163287648391 BBB+ HIA+ Caco2+
DB01704 mol2, pdbqt 136,56 -1,407 180,159 0,7825 4 3 0 0,1675 0,747086240675202 BBB+ HIA+ Caco2+
DB01705 mol2, pdbqt 234,37 -0,855 335,394 -0,1697 8 6 1 0,29137 0,730450806882502 BBB+ HIA+ Caco2-
DB01706 mol2, pdbqt 125,63 -3,709 233,456 0,1603 4 1 0 -0,63625 0,586379428357092 BBB+ HIA+ Caco2-
DB01707 mol2, pdbqt 368,95 -1,084 440,535 0,4927 8 2 0 -55,499 0,4114614144285 BBB+ HIA- Caco2-
DB01708 mol2, pdbqt 37,3 -4,061 288,429 3,4962 2 1 0 0,92625 0,645945042638947 BBB+ HIA+ Caco2+
DB01709 mol2, pdbqt 116,68 1,757 186,056 -5,037 7 4 0 -20,038 0,494054241472964 BBB+ HIA- Caco2-
DB01710 mol2, pdbqt 216,36 -9,11 364,188 1,701 4 0 0 -1,3097 0,277755740846332 BBB+ HIA+ Caco2+
DB01711 mol2, pdbqt 125,12 -3,07 198,09 1,5663 1 1 0 -3,5856 0,467270089053498 BBB+ HIA+ Caco2+
DB01712 mol2, pdbqt 351,17 -3,413 476,616 2,2207 7 1 0 -2,8925 0,366921320148336 BBB+ HIA+ Caco2-
DB01713 mol2, pdbqt 326,38 1,745 536,275 -8,5616 18 8 3 -35,731 0,348010481371847 BBB- HIA- Caco2-
DB01714 mol2, pdbqt 137,38 -0,701 160,216 -3,992 4 3 0 -15,717 0,492480133300016 BBB+ HIA+ Caco2-
DB01715 mol2, pdbqt 160,7 -1,703 188,27 -3,4111 4 3 0 -15,268 0,485334553335812 BBB+ HIA+ Caco2-
DB01716 mol2, pdbqt 239,81 -0,855 333,336 -2,3002 9 6 1 -3,114 0,38896864552401 BBB- HIA- Caco2-
DB01717 mol2, pdbqt 546,74 0,856 916,368 -15,099 32 11 3 -30,229 0,251319970971983 BBB+ HIA- Caco2-
DB01718 mol2, pdbqt 3,24 -3,622 284,549 5,6443 1 0 1 -19,585 0,174988466689184 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1421 to 1440 of 6870
These data are only available for scientific research purposes.