• Drug Bank
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Records 2141 to 2160 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
DB02481 mol2, pdbqt 118,02 -1,943 135,165 0,7019 2 1 0 -0,075664 0,714604401195812 BBB+ HIA+ Caco2+
DB02482 mol2, pdbqt 129,85 1,303 199,098 -6,8023 7 4 0 -29,751 0,492967752282505 BBB+ HIA- Caco2-
DB02483 mol2, pdbqt 442,58 -1,592 688,458 -7,5353 21 8 3 -29,349 0,269206331141551 BBB+ HIA- Caco2-
DB02484 mol2, pdbqt 302,35 2,602 477,255 -7,862 16 8 2 -29,699 0,39185528790895 BBB+ HIA- Caco2-
DB02485 mol2, pdbqt 397,02 0,585 614,452 -8,447 20 10 3 -39,755 0,299954650075221 BBB+ HIA- Caco2-
DB02486 mol2, pdbqt 116,22 -1,274 154,253 0,5354 2 2 0 -2,0035 0,545423450052503 BBB+ HIA+ Caco2+
DB02488 mol2, pdbqt 203,99 -0,747 271,316 -0,8502 7 3 0 -0,23238 0,55472072073819 BBB- HIA+ Caco2-
DB02489 mol2, pdbqt 120,47 -1,907 165,156 -0,1904 6 2 0 1,5991 0,885695683950851 BBB+ HIA+ Caco2+
DB02490 mol2, pdbqt 103,46 0,826 133,15 -7,5314 5 3 0 -1,1585 0,614814950862076 BBB+ HIA+ Caco2-
DB02491 mol2, pdbqt 349,99 -5,113 452 4,2526 6 2 0 2,1833 0,480862938484056 BBB+ HIA+ Caco2-
DB02492 mol2, pdbqt 209,96 1,551 316,306 -10,846 10 5 0 3,9983 0,941086311946008 BBB+ HIA- Caco2-
DB02493 mol2, pdbqt 175,98 1,046 298,143 -6,5945 11 6 2 -21,25 0,383247306801774 BBB+ HIA- Caco2-
DB02494 mol2, pdbqt 129,97 -1,465 166,175 0,5754 3 2 0 -0,6215 0,655312953474264 BBB+ HIA+ Caco2-
DB02495 mol2, pdbqt 232,51 -2,786 299,333 1,1328 7 3 0 -1,9899 0,242559388332631 BBB+ HIA+ Caco2-
DB02496 mol2, pdbqt 141,44 1,439 214,109 -4,9267 7 4 0 -21,153 0,295054740047303 BBB+ HIA- Caco2-
DB02497 mol2, pdbqt 175,22 1,462 259,15 -6,8097 9 5 0 -38,061 0,486458608517494 BBB+ HIA- Caco2-
DB02498 mol2, pdbqt 429,61 0,875 662,464 -6,7982 20 9 3 -29,541 0,280755325428248 BBB+ HIA- Caco2-
DB02499 mol2, pdbqt 121,68 -0,775 162,148 -5,0955 7 5 0 -4,44 0,398313123454878 BBB+ HIA+ Caco2-
DB02500 mol2, pdbqt 160,08 -1,318 214,22 -0,6582 6 4 0 -1,3151 0,587964040896456 BBB+ HIA+ Caco2-
DB02501 mol2, pdbqt 212,61 -0,433 274,276 -1,4975 9 6 1 0,41679 0,771757613899434 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2141 to 2160 of 6870
These data are only available for scientific research purposes.