• Drug Bank
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 of 344
Records 1581 to 1600 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
DB01872 mol2, pdbqt 191,71 1,123 301,271 -4,2252 10 5 0 -0,59122 0,648835373506159 BBB- HIA- Caco2-
DB01873 mol2, pdbqt 389,61 -4,79 491,691 5,9101 6 2 1 -1,5505 0,223725615566237 BBB+ HIA+ Caco2-
DB01874 mol2, pdbqt 106,85 -1,257 139,197 0,6452 2 0 0 1,4196 0,880776117318634 BBB+ HIA+ Caco2+
DB01875 mol2, pdbqt 105,17 -1,619 153,101 -0,6126 7 3 0 -4,4694 0,492636606998104 BBB+ HIA+ Caco2-
DB01876 mol2, pdbqt 254,29 -1,244 346,353 -0,8556 9 6 1 1,3886 0,827935648432391 BBB+ HIA+ Caco2-
DB01877 mol2, pdbqt 242,7 -1,467 345,375 -1,1748 9 3 0 5,4523 0,916237641740602 BBB- HIA+ Caco2-
DB01878 mol2, pdbqt 17,07 -3,716 182,221 2,7896 1 0 0 -1,1025 0,188521216188625 BBB+ HIA+ Caco2+
DB01879 mol2, pdbqt 455,37 -6,476 662,694 3,5991 12 3 2 1,3259 0,268896058310459 BBB+ HIA+ Caco2-
DB01880 mol2, pdbqt 136,56 -1,407 180,159 0,7825 4 3 0 0,1675 0,161370627985843 BBB- HIA+ Caco2+
DB01881 mol2, pdbqt 107,5 -0,598 134,174 -0,2493 3 3 0 -9,2015 0,492689546456328 BBB+ HIA+ Caco2-
DB01882 mol2, pdbqt 173,42 -0,612 228,315 -0,1427 4 3 0 -1,3975 0,349637401109402 BBB+ HIA+ Caco2-
DB01883 mol2, pdbqt 358,28 -3,135 482,624 -0,1187 9 4 0 3,7908 0,428287063153417 BBB- HIA+ Caco2-
DB01884 mol2, pdbqt 141,13 -1,152 170,255 0,4196 3 1 0 -2,9118 0,512802160214348 BBB+ HIA+ Caco2+
DB01885 mol2, pdbqt 116,91 0,083 178,139 -2,8365 6 4 0 -6,769 0,493797126493011 BBB+ HIA- Caco2-
DB01887 mol2, pdbqt 462,38 -4,032 620,697 0,7996 11 6 3 -1,6586 0,236362575506185 BBB- HIA- Caco2-
DB01888 mol2, pdbqt 354,19 -5,387 471,628 2,1539 9 3 0 3,3924 0,532199384898896 BBB+ HIA+ Caco2-
DB01889 mol2, pdbqt 210,27 -4,445 274,446 4,0337 1 1 0 -0,8675 0,442447966378909 BBB+ HIA+ Caco2+
DB01890 mol2, pdbqt 627,67 -3,265 862,064 -1,9067 18 14 3 5,2005 0,280151271327034 BBB- HIA+ Caco2-
DB01891 mol2, pdbqt 365,06 -4,115 455,553 2,1154 8 4 0 -12,081 0,338825948359568 BBB- HIA+ Caco2-
DB01893 mol2, pdbqt 337,87 -0,976 517,327 -5,8691 15 6 3 -29,81 0,287094257319088 BBB+ HIA- Caco2-
Page 
 of 344
Records 1581 to 1600 of 6870
These data are only available for scientific research purposes.