• Drug Bank
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Records 401 to 420 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
DB00536 mol2, pdbqt 75,89 0,022 59,0717 -1,7184 3 3 0 -3,4523 0,409653377090742 BBB+ HIA+ Caco2-
DB00537 mol2, pdbqt 72,88 -3,32 331,346 -1,5264 6 2 0 2,0491 0,817557709743698 BBB- HIA+ Caco2-
DB00538 mol2, pdbqt 198,28 2,646 507,539 -8,705 15 5 2 -3,04 0,386118377865866 BBB+ HIA- Caco2-
DB00539 mol2, pdbqt 12,47 -4,798 405,967 4,9492 2 0 0 2,6379 0,143268381838667 BBB+ HIA+ Caco2+
DB00540 mol2, pdbqt 12,03 -4,036 263,383 4,1391 1 1 0 0,60377 0,352500214826649 BBB+ HIA+ Caco2+
DB00541 mol2, pdbqt 171,17 -5,53 824,969 2,9846 14 3 2 4,0316 0,326016598381497 BBB- HIA+ Caco2+
DB00542 mol2, pdbqt 95,94 -3,877 424,495 0,8715 7 2 0 -5,4701 0,374100796621783 BBB- HIA+ Caco2-
DB00543 mol2, pdbqt 36,86 -4,355 313,787 3,3035 4 1 0 3,0119 0,425903654063316 BBB+ HIA+ Caco2-
DB00544 mol2, pdbqt 58,2 -1,765 130,078 -0,8399 4 2 0 -4,4996 6,38041001740665E-02 BBB+ HIA+ Caco2-
DB00545 mol2, pdbqt 34,47 -0,601 181,214 0,7737 4 0 0 -2,1724 0,430428878581597 BBB+ HIA+ Caco2+
DB00546 mol2, pdbqt 46,31 -5,066 351,84 1,8985 5 0 0 4,4822 0,669563816120929 BBB+ HIA+ Caco2+
DB00547 mol2, pdbqt 74,6 -3,7 376,466 2,1118 4 2 0 1,77 0,73151550173252 BBB+ HIA+ Caco2+
DB00548 mol2, pdbqt 74,6 -1,824 188,222 1,6054 4 2 0 -12,715 0,28586595095862 BBB+ HIA+ Caco2-
DB00549 mol2, pdbqt 124,11 -6,843 575,684 5,6681 9 2 2 -7,9012 0,122501972393549 BBB+ HIA+ Caco2-
DB00550 mol2, pdbqt 73,22 -2,132 170,235 0,8972 3 2 0 -2,1582 0,113959920171611 BBB+ HIA+ Caco2+
DB00551 mol2, pdbqt 49,33 -0,734 75,0667 -0,8135 3 2 0 -0,74213 0,235341350169016 BBB+ HIA+ Caco2-
DB00552 mol2, pdbqt 112,13 -1,458 268,272 -1,5848 8 4 0 3,2018 0,937794751467291 BBB+ HIA+ Caco2-
DB00553 mol2, pdbqt 48,67 -3,547 216,192 1,879 4 0 0 -3,3751 9,72779073247713E-02 BBB+ HIA+ Caco2+
DB00554 mol2, pdbqt 107,98 -2,184 331,351 1,2063 7 2 0 5,6003 0,903311306268598 BBB- HIA+ Caco2+
DB00555 mol2, pdbqt 90,71 -4,359 256,096 1,596 5 2 0 -1,6419 0,461095001654872 BBB+ HIA+ Caco2+
Page 
 of 344
Records 401 to 420 of 6870
These data are only available for scientific research purposes.