• Drug Bank
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Records 441 to 460 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
DB00577 mol2, pdbqt 146,85 -2,404 324,34 -1,2529 10 3 0 -20,843 0,273641859061007 BBB+ HIA+ Caco2-
DB00578 mol2, pdbqt 149,31 -1,88 378,404 0,6887 8 3 0 9,8387 0,880658739827195 BBB- HIA- Caco2-
DB00579 mol2, pdbqt 35,83 -3,406 284,745 3,4206 3 1 0 4,0857 0,801275100195574 BBB+ HIA+ Caco2+
DB00581 mol2, pdbqt 189,53 0,682 342,296 -4,6102 11 8 2 -4,3761 0,472242200335045 BBB+ HIA- Caco2-
DB00582 mol2, pdbqt 76,72 -3,231 349,315 1,4751 6 1 0 4,0837 0,842502730487632 BBB+ HIA+ Caco2+
DB00583 mol2, pdbqt 60,77 0,542 162,208 -2,1066 4 2 0 1,5334 0,901343731510073 BBB+ HIA- Caco2+
DB00584 mol2, pdbqt 95,94 -2,477 376,451 -0,0245 7 2 0 0,77856 0,733921522156843 BBB- HIA+ Caco2-
DB00585 mol2, pdbqt 139,55 -2,872 331,464 -2,3783 7 2 0 0,039549 0,672800802510328 BBB+ HIA+ Caco2-
DB00586 mol2, pdbqt 49,33 -4,644 296,152 3,8852 3 2 0 -0,71474 0,266337620090212 BBB+ HIA+ Caco2+
DB00587 mol2, pdbqt 107,53 -5,267 412,552 5,2326 5 2 1 3,3982 0,442568013313514 BBB+ HIA+ Caco2-
DB00588 mol2, pdbqt 105,97 -5,098 500,576 2,7327 5 1 1 4,5242 0,523917735224301 BBB+ HIA+ Caco2+
DB00589 mol2, pdbqt 51,37 -2,736 338,453 2,0555 5 2 0 7,3646 0,52223106119506 BBB+ HIA+ Caco2-
DB00590 mol2, pdbqt 112,27 -4,1 451,481 2,1379 10 1 0 7,1196 0,682909699930097 BBB+ HIA+ Caco2+
DB00591 mol2, pdbqt 93,06 -3,844 452,492 1,181 6 2 0 0,79255 0,602385764276484 BBB+ HIA+ Caco2+
DB00592 mol2, pdbqt 24,06 -0,1 86,1374 -0,563 2 2 0 0,77302 0,300410566792024 BBB+ HIA+ Caco2+
DB00593 mol2, pdbqt 46,17 -1,426 141,169 0,3253 3 1 0 4,8883 0,466379142215021 BBB+ HIA+ Caco2+
DB00594 mol2, pdbqt 159,29 -2,441 229,631 -1,5887 8 4 0 0,18169 0,730422225477687 BBB+ HIA+ Caco2-
DB00595 mol2, pdbqt 201,85 -1,43 460,438 -2,1839 11 7 2 5,1656 0,794621851941009 BBB- HIA+ Caco2-
DB00596 mol2, pdbqt 74,6 -4,341 428,901 2,2934 4 2 0 3,7443 0,194580255318048 BBB+ HIA+ Caco2+
DB00597 mol2, pdbqt 145,09 2,282 404,462 -8,4271 11 4 1 -4,4569 0,160057452574203 BBB- HIA+ Caco2-
Page 
 of 344
Records 441 to 460 of 6870
These data are only available for scientific research purposes.