• Drug Bank
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 of 344
Records 2561 to 2580 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
DB02934 mol2, pdbqt 195,91 -2,47 280,283 -0,6565 8 3 0 -1,4484 0,553055209990148 BBB- HIA+ Caco2-
DB02935 mol2, pdbqt 123,06 -0,147 134,174 -0,1129 3 0 0 -11,458 0,106604152886635 BBB+ HIA+ Caco2+
DB02936 mol2, pdbqt 298,25 -3,349 380,443 2,6414 6 2 0 -0,88992 0,41066800387458 BBB+ HIA+ Caco2-
DB02937 mol2, pdbqt 301,31 1,748 549,157 -5,7554 17 7 3 -36,574 5,85728132197337E-02 BBB+ HIA- Caco2-
DB02938 mol2, pdbqt 118,66 -1,809 130,186 1,9729 2 1 0 -22,436 0,476000474761578 BBB+ HIA+ Caco2+
DB02940 mol2, pdbqt 136,31 -0,815 186,234 -2,5166 4 2 0 0,98948 0,848068747483152 BBB+ HIA+ Caco2-
DB02941 mol2, pdbqt 190,04 -1,931 231,291 -0,8683 5 3 0 -11,065 0,478879224797605 BBB+ HIA+ Caco2-
DB02942 mol2, pdbqt 193,34 3,404 340,113 -9,5482 12 8 2 -19,04 0,467944277498369 BBB+ HIA- Caco2-
DB02943 mol2, pdbqt 299,33 -2,582 383,468 -2,0061 8 4 0 -0,83237 0,562774778361933 BBB+ HIA+ Caco2-
DB02945 mol2, pdbqt 122 0,269 194,138 -2,9704 7 5 0 -1,2853 0,59912857803436 BBB+ HIA- Caco2-
DB02946 mol2, pdbqt 231,7 -4,648 334,673 4,3605 2 1 0 2,2859 0,101669962884374 BBB+ HIA+ Caco2+
DB02947 mol2, pdbqt 182,43 -3,309 269,235 -0,4172 8 3 0 -0,54054 0,366499675618902 BBB+ HIA+ Caco2-
DB02948 mol2, pdbqt 127,44 0,187 183,099 -4,1422 6 3 0 -11,478 0,493149157776888 BBB+ HIA- Caco2-
DB02949 mol2, pdbqt 410,88 -8,528 634,512 4,7172 9 3 1 -5,4492 0,118200259810219 BBB- HIA+ Caco2-
DB02950 mol2, pdbqt 193,25 -3,051 324,137 -1,2209 7 2 0 1,1833 0,782232273644854 BBB+ HIA+ Caco2-
DB02951 mol2, pdbqt 75,46 0,126 104,061 -1,8244 4 2 0 -6,4764 0,496881394186934 BBB+ HIA+ Caco2-
DB02952 mol2, pdbqt 81,05 -0,515 103,12 -2,6105 3 2 0 -3,3715 0,511416189029497 BBB+ HIA+ Caco2-
DB02953 mol2, pdbqt 153,24 -2,681 196,269 1,7483 2 1 0 -5,9255 0,463975620341536 BBB+ HIA+ Caco2+
DB02954 mol2, pdbqt 92,11 -0,191 135,075 -1,8712 6 3 0 -2,5008 0,27245204293244 BBB+ HIA+ Caco2-
DB02955 mol2, pdbqt 274,09 -4,152 298,465 5,6973 3 2 1 -26,31 0,271583598485593 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2561 to 2580 of 6870
These data are only available for scientific research purposes.