• Drug Bank
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 of 344
Records 5641 to 5660 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
DB08005 mol2, pdbqt 301,16 -4,93 398,897 3,2016 7 3 0 5,7015 0,623067235015514 BBB+ HIA+ Caco2-
DB08006 mol2, pdbqt 247,47 -5,015 325,374 3,9278 5 1 0 3,8575 0,140685698945772 BBB+ HIA+ Caco2+
DB08007 mol2, pdbqt 184,4 -1,599 238,242 -0,6357 6 4 0 3,3964 0,946183009116032 BBB- HIA- Caco2-
DB08008 mol2, pdbqt 207,73 -2,581 293,251 2,3873 5 1 0 -3,3325 0,368523611705767 BBB+ HIA+ Caco2+
DB08009 mol2, pdbqt 322,02 -3,893 414,935 2,3412 6 3 0 9,7 0,440946810713865 BBB+ HIA+ Caco2-
DB08010 mol2, pdbqt 317,28 -7,017 430,434 4,4186 6 1 0 2,5783 0,375423602098088 BBB+ HIA+ Caco2-
DB08011 mol2, pdbqt 237,37 -5,195 346,288 2,3124 6 1 0 2,4486 0,628593531034919 BBB+ HIA+ Caco2-
DB08012 mol2, pdbqt 298,43 -4,076 369,463 3,4738 6 0 0 -0,47 0,494210208555555 BBB+ HIA+ Caco2-
DB08013 mol2, pdbqt 312,19 -4,346 383,49 3,9282 6 0 0 -4,12 0,331006073558495 BBB+ HIA+ Caco2-
DB08014 mol2, pdbqt 325,95 -4,616 397,517 4,3826 6 0 0 -6 0,292385063852259 BBB+ HIA+ Caco2-
DB08015 mol2, pdbqt 290,78 -6,967 404,396 3,8708 6 1 0 2,4486 0,416168451217899 BBB+ HIA+ Caco2-
DB08016 mol2, pdbqt 198,27 -0,856 298,618 -2,4582 8 4 0 -18,898 0,285384375181555 BBB+ HIA- Caco2-
DB08017 mol2, pdbqt 227,2 -3,232 284,362 2,0801 5 0 0 4,3678 0,693066385050792 BBB+ HIA+ Caco2+
DB08018 mol2, pdbqt 296,42 -3,761 373,93 1,7438 5 4 0 2,0661 0,748032307299979 BBB+ HIA+ Caco2-
DB08019 mol2, pdbqt 296,42 -3,761 373,93 1,7438 5 4 0 2,0661 0,748032307299979 BBB+ HIA+ Caco2-
DB08020 mol2, pdbqt 243,52 -3,651 326,391 3,8799 4 2 0 -3,5526 0,38190059342824 BBB+ HIA+ Caco2+
DB08021 mol2, pdbqt 285,68 -4,372 422,709 3,23 5 1 0 4,0527 0,651752078749871 BBB+ HIA+ Caco2-
DB08022 mol2, pdbqt 291,55 -3,671 372,455 2,5541 6 1 0 -2,3269 0,426404319808031 BBB+ HIA+ Caco2-
DB08023 mol2, pdbqt 244,91 -5,244 307,4 2,7017 5 0 0 -1,3097 0,397612926294226 BBB+ HIA+ Caco2+
DB08024 mol2, pdbqt 258,41 -3,89 323,439 1,8482 4 2 0 0,79087 0,685389320027895 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5641 to 5660 of 6870
These data are only available for scientific research purposes.