• Drug Bank
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Records 1701 to 1720 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
DB02005 mol2, pdbqt 94,11 -0,693 114,1 -0,2411 3 1 0 -9,388 0,394415061597305 BBB+ HIA+ Caco2-
DB02006 mol2, pdbqt 344,73 -5,238 520,382 3,9462 7 3 1 2,5205 0,100126975931787 BBB- HIA+ Caco2-
DB02007 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -19,186 0,486424844947948 BBB+ HIA- Caco2-
DB02008 mol2, pdbqt 352,59 -5,295 463,511 3,9319 8 2 0 2,4006 0,479351748627703 BBB+ HIA+ Caco2-
DB02009 mol2, pdbqt 501,78 -5,429 652,833 4,6976 9 4 1 2,105 0,295377619481006 BBB- HIA+ Caco2-
DB02010 mol2, pdbqt 322,44 -6,769 466,539 4,4396 7 2 0 4,7259 0,373119598622656 BBB- HIA+ Caco2-
DB02011 mol2, pdbqt 179,34 0,442 254,178 -6,8542 8 5 0 -24,746 0,486511314581557 BBB+ HIA- Caco2-
DB02013 mol2, pdbqt 50,67 -1,962 170,718 0 4 1 0 -8,1519 0,482476368037331 BBB+ HIA+ Caco2-
DB02014 mol2, pdbqt 308,3 -4,545 413,356 3,1366 8 2 0 -1,8592 0,370856250277057 BBB+ HIA+ Caco2-
DB02015 mol2, pdbqt 320,72 -4,102 443,419 -2,1598 13 7 2 -7,6788 0,355713282778393 BBB- HIA- Caco2-
DB02016 mol2, pdbqt 329,17 -5,894 448,374 5,7382 3 0 1 -9,3195 0,176119438762569 BBB+ HIA+ Caco2+
DB02017 mol2, pdbqt 238,69 2,266 362,334 -3,8091 11 7 2 -2,4257 0,298157882215805 BBB- HIA- Caco2-
DB02018 mol2, pdbqt 157,7 -0,785 206,2 -0,1851 5 3 0 -9,3435 0,487945116002572 BBB+ HIA+ Caco2-
DB02019 mol2, pdbqt 201,59 -3,727 284,266 2,3272 5 3 0 -1,1184 0,518312131713434 BBB+ HIA+ Caco2-
DB02020 mol2, pdbqt 178,02 -3,006 255,228 1,318 5 1 0 -2,9986 0,170667838191639 BBB+ HIA+ Caco2-
DB02021 mol2, pdbqt 184,58 -1,875 279,226 -0,8011 7 4 0 0,13958 0,72537030930084 BBB+ HIA+ Caco2-
DB02022 mol2, pdbqt 111,67 -0,725 139,157 -0,5934 4 2 0 -1,8975 0,556637050249389 BBB+ HIA+ Caco2-
DB02023 mol2, pdbqt 229,5 0,039 363,222 -4,7635 13 7 2 -16,937 0,457937001497492 BBB+ HIA- Caco2-
DB02024 mol2, pdbqt 124,88 -1,864 150,176 1,5972 2 1 0 -2,755 0,506733268363313 BBB+ HIA+ Caco2+
DB02025 mol2, pdbqt 274,06 -2,068 363,434 -3,4127 9 5 0 -29,375 0,447672905185512 BBB+ HIA- Caco2-
Page 
 of 344
Records 1701 to 1720 of 6870
These data are only available for scientific research purposes.