• Drug Bank
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 of 344
Records 1161 to 1180 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
DB01384 mol2, pdbqt 94,83 -3,301 392,465 1,2597 5 3 0 4,2291 0,484658250609722 BBB+ HIA+ Caco2+
DB01390 mol2, pdbqt 57,53 -0,646 62,0239 -0,5238 3 2 0 -2,521 0,318808197636464 BBB+ HIA+ Caco2-
DB01392 mol2, pdbqt 65,56 -3,065 354,448 2,3512 5 2 0 1,5035 0,762417238759813 BBB- HIA+ Caco2+
DB01393 mol2, pdbqt 75,63 -4,072 361,824 3,3525 5 2 0 -0,40157 0,508481293555175 BBB+ HIA+ Caco2-
DB01394 mol2, pdbqt 83,09 -3,046 399,442 1,863 7 1 0 1,024 0,423182051551787 BBB+ HIA+ Caco2+
DB01395 mol2, pdbqt 43,37 -4,938 366,499 3,4384 3 0 0 -2,8162 0,200942864668183 BBB+ HIA+ Caco2+
DB01396 mol2, pdbqt 182,83 -6,086 764,946 2,7475 13 5 2 3,3253 0,304730774028423 BBB- HIA+ Caco2-
DB01397 mol2, pdbqt 57,53 -1,333 138,122 0,799 3 2 0 -1,8442 0,119551921217471 BBB+ HIA+ Caco2+
DB01399 mol2, pdbqt 83,83 -2,803 258,228 2,2295 5 2 0 -1,5369 0,31707313221825 BBB+ HIA+ Caco2+
DB01400 mol2, pdbqt 32,78 -1,66 223,295 0,5575 4 0 0 -4,8424 0,483823526782374 BBB+ HIA+ Caco2+
DB01401 mol2, pdbqt 57,53 -1,333 138,122 0,799 3 2 0 -1,8442 0,119551921217471 BBB+ HIA+ Caco2+
DB01403 mol2, pdbqt 41,01 -4,243 328,479 4,1492 3 0 0 5,2959 0,242089843775809 BBB+ HIA+ Caco2+
DB01406 mol2, pdbqt 46,26 -4,884 337,461 3,4638 3 1 0 2,0688 0,616771261134819 BBB+ HIA+ Caco2+
DB01407 mol2, pdbqt 58,28 -3,391 277,194 2,0569 3 3 0 8,0316 0,51882543955521 BBB+ HIA+ Caco2+
DB01408 mol2, pdbqt 91,34 -2,077 367,444 1,4866 8 2 0 5,18 0,525981965167541 BBB- HIA+ Caco2-
DB01409 mol2, pdbqt 118,78 -2,93 392,519 0,2178 5 1 0 6,2529 0,837774764604707 BBB+ HIA+ Caco2+
DB01410 mol2, pdbqt 99,13 -5,448 540,694 3,6914 7 1 1 0,9827 0,222131935873871 BBB+ HIA+ Caco2-
DB01411 mol2, pdbqt 119,09 -5,67 481,511 4,7202 9 2 0 -7,335 0,204332998102082 BBB+ HIA+ Caco2-
DB01412 mol2, pdbqt 67,23 -1,506 180,167 -0,4313 6 1 0 3,421 0,206788973952587 BBB+ HIA+ Caco2+
DB01413 mol2, pdbqt 203,99 -2,092 481,576 -1,0566 11 3 1 19,309 0,756516884463458 BBB- HIA- Caco2-
Page 
 of 344
Records 1161 to 1180 of 6870
These data are only available for scientific research purposes.