• Drug Bank
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Records 1621 to 1640 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
DB01919 mol2, pdbqt 86,58 -1,502 86,1334 1,2014 1 0 0 -9,8772 0,174815761637796 BBB+ HIA+ Caco2+
DB01920 mol2, pdbqt 205,09 -1,666 301,25 -1,597 9 4 0 -9,5438 0,470389177976549 BBB- HIA- Caco2-
DB01921 mol2, pdbqt 111,09 -0,285 162,144 -1,7566 6 5 0 2,5519 0,950836773578244 BBB+ HIA+ Caco2-
DB01922 mol2, pdbqt 333,56 0,48 516,451 -7,2622 17 12 3 -9,8027 0,361967860638361 BBB- HIA- Caco2-
DB01923 mol2, pdbqt 149,29 1,946 230,108 -5,8534 8 5 0 -20,603 0,294195405875037 BBB+ HIA- Caco2-
DB01924 mol2, pdbqt 108,82 -1,904 137,138 0,6303 3 2 0 -0,18735 0,421202070097277 BBB+ HIA+ Caco2+
DB01925 mol2, pdbqt 161,14 -3,846 220,654 3,2334 2 2 0 -1,9236 0,452161400511646 BBB+ HIA+ Caco2+
DB01926 mol2, pdbqt 563,37 -4,871 801,669 -0,1188 17 4 2 -18,344 0,117562136437475 BBB- HIA+ Caco2-
DB01927 mol2, pdbqt 130,38 -1,494 164,203 1,8452 2 0 0 -2,54 0,308036920086659 BBB+ HIA+ Caco2+
DB01929 mol2, pdbqt 172,44 -3,166 241,638 -0,9468 7 3 0 -2,0712 0,505854093007408 BBB+ HIA+ Caco2+
DB01930 mol2, pdbqt 111,49 -0,43 148,157 -0,5547 4 3 0 -8,475 0,492992788486791 BBB+ HIA+ Caco2-
DB01931 mol2, pdbqt 167,91 -3,535 258,06 2,2106 4 2 0 -1,4266 0,511494578973612 BBB+ HIA+ Caco2+
DB01932 mol2, pdbqt 75,09 -0,984 81,1176 0,726 1 1 0 -0,14972 0,717521632803616 BBB+ HIA+ Caco2+
DB01933 mol2, pdbqt 327,64 -6,514 482,538 4,1206 8 3 0 3,8462 0,386773985422204 BBB- HIA- Caco2-
DB01934 mol2, pdbqt 635,97 -4,825 824,969 2,2939 17 8 3 -7,0097 0,190795745152946 BBB- HIA- Caco2-
DB01935 mol2, pdbqt 196,21 -2,666 253,321 0,973 4 2 0 -4,7891 0,465872961047149 BBB+ HIA+ Caco2-
DB01936 mol2, pdbqt 99,16 0,122 150,129 -2,1107 5 4 0 -2,9788 0,518564288007496 BBB+ HIA- Caco2-
DB01937 mol2, pdbqt 228,24 0,413 363,222 -5,6394 13 7 2 -17,503 0,458404110377407 BBB+ HIA+ Caco2-
DB01938 mol2, pdbqt 219,94 -3,485 280,33 1,2486 5 3 0 0,22423 0,324629979297786 BBB+ HIA+ Caco2-
DB01939 mol2, pdbqt 124,69 -1,096 161,187 -0,0525 4 3 0 0,21969 0,760757279038656 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1621 to 1640 of 6870
These data are only available for scientific research purposes.