• Drug Bank
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 of 344
Records 1341 to 1360 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
DB01611 mol2, pdbqt 48,39 -3,552 335,877 3,0824 4 2 0 5,7266 0,476242575114302 BBB+ HIA+ Caco2-
DB01612 mol2, pdbqt 38,66 -1,467 117,147 2,3114 3 0 0 -9,5397 0,170950521748009 BBB+ HIA+ Caco2+
DB01613 mol2, pdbqt 220,2 -3,452 302,108 -3,2086 16 0 1 -2,0617 0,485972959973285 BBB+ HIA+ Caco2-
DB01614 mol2, pdbqt 48,85 -4,749 326,463 3,8721 3 0 0 5,1777 0,38752815569472 BBB+ HIA+ Caco2+
DB01615 mol2, pdbqt 48,85 -4,857 326,463 3,777 3 0 0 5,7767 0,308081974428388 BBB+ HIA+ Caco2+
DB01616 mol2, pdbqt 3,24 -3,517 281,441 4,8759 1 0 0 3,2307 0,658420519957375 BBB+ HIA+ Caco2+
DB01618 mol2, pdbqt 45,33 -2,158 276,379 1,7313 4 1 0 3,284 0,907407813014065 BBB+ HIA+ Caco2+
DB01619 mol2, pdbqt 3,24 -2,814 261,367 3,109 1 0 0 5,6932 0,861841862009861 BBB+ HIA+ Caco2+
DB01620 mol2, pdbqt 16,13 -1,89 240,349 2,7477 2 0 0 3,5806 0,899940048423371 BBB+ HIA+ Caco2+
DB01621 mol2, pdbqt 97,77 -4,083 475,676 4,1495 6 1 0 7,3068 0,123747863264111 BBB+ HIA+ Caco2-
DB01622 mol2, pdbqt 80,78 -2,773 446,638 3,2979 6 0 0 11,861 0,156913790008826 BBB+ HIA+ Caco2-
DB01623 mol2, pdbqt 77,54 -2,53 443,634 3,8126 5 0 0 10,199 0,423391827716797 BBB+ HIA+ Caco2-
DB01624 mol2, pdbqt 52,01 -3,92 400,973 4,6796 3 1 0 8,9318 0,365423924098941 BBB+ HIA+ Caco2-
DB01625 mol2, pdbqt 46,33 -2,924 353,528 2,1739 3 1 0 6,6393 0,849810819461741 BBB+ HIA+ Caco2+
DB01626 mol2, pdbqt 3,24 -1,754 159,231 1,3097 1 0 0 3,7874 0,570408747480937 BBB+ HIA+ Caco2+
DB01627 mol2, pdbqt 151,28 -1,622 406,542 -0,1176 8 5 0 2,174 0,816184140435855 BBB- HIA- Caco2-
DB01628 mol2, pdbqt 68,3 -5,411 358,848 3,0731 4 0 0 0,23028 0,470349789184177 BBB+ HIA+ Caco2+
DB01629 mol2, pdbqt 167,63 -1,104 262,192 -2,3419 8 4 0 -5,0017 0,484593946971352 BBB+ HIA+ Caco2-
DB01630 mol2, pdbqt 442,85 -3,928 574,74 3,4648 10 3 1 -7,3392 0,20523833970662 BBB- HIA+ Caco2-
DB01631 mol2, pdbqt 162,09 -2,477 172,267 3,3096 2 0 0 -35,364 0,439684671203317 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1341 to 1360 of 6870
These data are only available for scientific research purposes.