• Drug Bank
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Records 4261 to 4280 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
DB04769 mol2, pdbqt 181,04 -2,955 257,273 0,927 5 1 0 3,0101 0,889354962279135 BBB+ HIA+ Caco2+
DB04770 mol2, pdbqt 283,97 -3,889 355,44 2,8644 7 2 0 2,804 0,447424471818211 BBB+ HIA+ Caco2-
DB04771 mol2, pdbqt 382,01 -4,105 489,575 0,1338 12 4 1 1,1448 0,573352654128758 BBB- HIA+ Caco2-
DB04772 mol2, pdbqt 382,93 -4,528 494,659 1,1997 10 4 0 0,56925 0,496262280381495 BBB- HIA+ Caco2-
DB04773 mol2, pdbqt 230,92 -1,83 290,311 0,759 7 1 0 -10,148 0,468289980363558 BBB+ HIA+ Caco2+
DB04774 mol2, pdbqt 796,49 -7,169 958,279 7,8134 14 0 3 -1,0608 5,51447323748888E-02 BBB+ HIA- Caco2+
DB04775 mol2, pdbqt 765,75 -6,846 933,225 7,8041 14 1 3 -2,2708 0,082552986895685 BBB+ HIA+ Caco2-
DB04776 mol2, pdbqt 296,53 -3,907 368,483 2,8308 7 2 0 5,1134 0,453846864936903 BBB- HIA+ Caco2-
DB04777 mol2, pdbqt 127,34 -2,005 165,148 0,4566 4 0 0 -9,772 0,10395149096081 BBB+ HIA+ Caco2+
DB04778 mol2, pdbqt 265,9 -2,061 330,43 -0,4672 6 6 1 2,1109 0,867079641126004 BBB- HIA+ Caco2-
DB04779 mol2, pdbqt 198,43 -1,034 275,348 1,6507 5 1 0 1,3823 0,509101172628352 BBB+ HIA+ Caco2-
DB04780 mol2, pdbqt 758,51 -8,14 908,327 10,559 13 7 4 -18,677 6,58257810005261E-02 BBB- HIA- Caco2-
DB04781 mol2, pdbqt 98,99 -0,762 118,131 0,1374 3 2 0 -13,448 0,295220934058278 BBB+ HIA+ Caco2-
DB04782 mol2, pdbqt 127,34 -2,005 165,148 0,4566 4 0 0 -9,772 0,10395149096081 BBB+ HIA+ Caco2+
DB04783 mol2, pdbqt 785,67 -6,642 960,251 6,5334 15 2 3 0,14825 7,91891757117355E-02 BBB- HIA- Caco2-
DB04784 mol2, pdbqt 104,37 -1,571 122,166 1,349 1 1 0 -2,9137 0,508223518510242 BBB+ HIA+ Caco2+
DB04785 mol2, pdbqt 442,52 -3,572 600,706 2,3456 11 3 2 5,2676 0,115750461522193 BBB- HIA+ Caco2-
DB04786 mol2, pdbqt 534,03 -5,228 1297,29 -2,9082 29 12 3 -1,2647 4,75415608725186E-02 BBB+ HIA- Caco2-
DB04788 mol2, pdbqt 250,29 0,263 416,299 -8,7232 13 6 2 -16,097 0,431865499871593 BBB- HIA- Caco2-
DB04790 mol2, pdbqt 281,2 -1,868 382,419 -0,3566 8 4 0 -0,42041 0,615145284577161 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4261 to 4280 of 6870
These data are only available for scientific research purposes.