• Drug Bank
Page 
 of 344
Records 1141 to 1160 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB01347 mol2, pdbqt 388,82 -7,482 611,438 5,98 8 2 2 1,2308 0,110176100482785 BBB+ HIA+ Caco2-
DB01348 mol2, pdbqt 146,54 -3,315 466,621 0,4754 7 2 0 -4,1273 0,372281613443139 BBB- HIA- Caco2-
DB01349 mol2, pdbqt 100,55 -6,461 411,468 3,2324 8 1 0 -1,9127 0,27093310922939 BBB+ HIA+ Caco2+
DB01351 mol2, pdbqt 75,27 -2,587 226,275 1,2968 5 2 0 6,3132 0,267676843893497 BBB+ HIA+ Caco2-
DB01352 mol2, pdbqt 75,27 -2,256 210,232 0,6569 5 2 0 2,897 0,332750655926272 BBB+ HIA+ Caco2-
DB01353 mol2, pdbqt 75,27 -2,427 212,248 1,0785 5 2 0 2,2476 0,206344837141742 BBB+ HIA+ Caco2-
DB01354 mol2, pdbqt 75,27 -2,949 250,297 1,2969 5 2 0 1,1607 0,230698541363557 BBB+ HIA+ Caco2-
DB01355 mol2, pdbqt 66,48 -2,047 236,27 0,7534 5 1 0 -1,7526 0,195992917728106 BBB+ HIA+ Caco2+
DB01357 mol2, pdbqt 29,46 -4,767 310,435 4,0712 2 1 0 0,7425 0,256675312937174 BBB+ HIA+ Caco2+
DB01359 mol2, pdbqt 41,49 -3,574 291,433 3,3965 3 2 0 6,0368 0,477149902480258 BBB- HIA+ Caco2+
DB01362 mol2, pdbqt 199,89 -3,984 821,127 -1,4618 12 8 3 5,467 0,441275546551279 BBB- HIA- Caco2-
DB01364 mol2, pdbqt 32,26 -1,434 165,235 0,7353 2 2 0 2,7661 0,942031644885126 BBB+ HIA+ Caco2+
DB01365 mol2, pdbqt 12,03 -2,091 163,263 2,186 1 1 0 1,1672 0,827040553408239 BBB+ HIA+ Caco2+
DB01366 mol2, pdbqt 81,59 -2,882 290,362 0,8971 5 4 0 3,499 0,890283621493676 BBB+ HIA+ Caco2-
DB01367 mol2, pdbqt 12,03 -2,506 171,242 1,7293 1 1 0 -0,072166 0,693042093848771 BBB+ HIA+ Caco2+
DB01369 mol2, pdbqt 256,5 -4,297 1022,23 1,7153 19 4 2 10,756 0,246272621668038 BBB- HIA- Caco2-
DB01375 mol2, pdbqt 66,76 -1,905 344,47 7,0462 4 2 1 -28,438 0,122072556056491 BBB+ HIA+ Caco2-
DB01377 mol2, pdbqt 17,07 -0,53 40,304 0,3317 1 0 0 -1 0,626689170658863 BBB+ HIA+ Caco2+
DB01380 mol2, pdbqt 97,74 -3,647 402,485 2,0451 6 1 0 3,9477 0,165061584833211 BBB+ HIA+ Caco2-
DB01382 mol2, pdbqt 98,79 -2,155 309,345 0,6025 7 1 0 -10,795 0,461053816668206 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1141 to 1160 of 6870
These data are only available for scientific research purposes.