• Drug Bank
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 of 344
Records 4441 to 4460 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
DB06703 mol2, pdbqt 185,55 2,99 607,737 -6,2324 13 6 3 -2,3982 0,329098205620517 BBB- HIA- Caco2-
DB06704 mol2, pdbqt 64,4 -3,193 275,088 0,6622 3 2 0 0,81668 0,757346090802133 BBB+ HIA+ Caco2+
DB06705 mol2, pdbqt 261,79 0,417 737,693 -6,5113 17 6 3 -39,004 0,263056361414797 BBB- HIA- Caco2-
DB06706 mol2, pdbqt 12,03 -1,823 141,257 2,5353 1 1 0 0,12881 0,71651925043512 BBB+ HIA+ Caco2+
DB06707 mol2, pdbqt 86,71 -0,926 183,206 -0,3076 4 4 0 0,19006 0,756964799001299 BBB- HIA+ Caco2-
DB06708 mol2, pdbqt 23,47 -8,923 528,949 8,732 2 1 2 2,2529 3,79352667781288E-02 BBB+ HIA+ Caco2+
DB06709 mol2, pdbqt 29,54 -0,123 160,236 -0,8001 3 0 0 -1,6587 0,572094197989137 BBB+ HIA+ Caco2+
DB06710 mol2, pdbqt 37,3 -4,17 302,456 3,7942 2 1 0 3,2871 0,423269625492701 BBB+ HIA+ Caco2+
DB06711 mol2, pdbqt 24,39 -3,394 210,279 2,2483 2 1 0 3,4066 0,516937807978958 BBB+ HIA+ Caco2-
DB06712 mol2, pdbqt 134,24 -4,058 385,375 1,5653 9 1 0 -12,143 0,380482740718679 BBB- HIA+ Caco2+
DB06713 mol2, pdbqt 52,82 -4,962 327,466 4,1594 3 2 0 0,75453 0,305003945669932 BBB+ HIA+ Caco2+
DB06714 mol2, pdbqt 12,03 -2,443 155,284 2,162 1 1 0 -1,6977 0,536962187650972 BBB+ HIA+ Caco2+
DB06716 mol2, pdbqt 85,8 -2,118 288,279 0,2188 5 2 0 -20,726 0,46700760045337 BBB+ HIA- Caco2-
DB06717 mol2, pdbqt 133,74 -2,773 614,41 -1,5306 10 3 1 -9,3855 0,228579225746854 BBB- HIA- Caco2-
DB06718 mol2, pdbqt 48,91 -3,937 328,498 3,3191 3 2 0 3,7833 0,599449915346638 BBB+ HIA+ Caco2+
DB06724 mol2, pdbqt 69,18 -0,646 60,008 -4,4924 3 0 0 -2,2548 0,542595143502686 BBB+ HIA+ Caco2+
DB06725 mol2, pdbqt 136,22 -2,947 371,824 1,8836 7 2 0 6,022 0,84048841739281 BBB- HIA+ Caco2+
DB06726 mol2, pdbqt 214,83 -3,529 261,364 2,7873 3 2 0 7,517 0,838410863740959 BBB+ HIA+ Caco2+
DB06727 mol2, pdbqt 181,46 -2,12 234,385 2,2736 2 0 0 1,4482 0,836834823997691 BBB+ HIA+ Caco2+
DB06728 mol2, pdbqt 81,78 -1,692 93,1286 0,9823 1 1 0 -1,9084 0,070975060991368 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4441 to 4460 of 6870
These data are only available for scientific research purposes.