• Drug Bank
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Records 261 to 280 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
DB00381 mol2, pdbqt 99,88 -3,298 408,88 2,071 7 2 0 -7,7862 0,393469497262378 BBB- HIA+ Caco2-
DB00383 mol2, pdbqt 62,13 -2,791 344,453 2,0672 5 1 0 4,8597 0,861127287400281 BBB+ HIA+ Caco2-
DB00384 mol2, pdbqt 129,62 -4,59 253,268 0,6075 7 3 0 -1,805 0,159422949991477 BBB+ HIA+ Caco2+
DB00385 mol2, pdbqt 215,22 -6,665 723,648 2,9076 14 5 2 -27,964 6,99285241729982E-02 BBB- HIA+ Caco2-
DB00387 mol2, pdbqt 23,47 -3,39 287,445 3,8185 2 1 0 1,3904 0,702085249965429 BBB+ HIA+ Caco2+
DB00388 mol2, pdbqt 52,49 -0,76 167,207 0,0303 3 3 0 2,574 0,945793682959864 BBB- HIA+ Caco2-
DB00389 mol2, pdbqt 64,87 -1,709 186,234 0,7234 4 0 0 -5,0125 0,485333283307068 BBB+ HIA+ Caco2+
DB00390 mol2, pdbqt 203,06 -5,687 780,945 1,8954 14 6 3 3,4159 0,331991902264837 BBB- HIA+ Caco2-
DB00391 mol2, pdbqt 110,11 -2,025 341,431 0,6079 7 2 0 8,2661 0,544022756182258 BBB+ HIA+ Caco2-
DB00392 mol2, pdbqt 31,78 -4,773 312,48 4,7184 2 0 0 5,6911 0,16727274514633 BBB+ HIA+ Caco2+
DB00393 mol2, pdbqt 119,68 -3,831 418,444 2,2272 9 1 0 -7,395 0,221749275109443 BBB- HIA+ Caco2-
DB00394 mol2, pdbqt 106,97 -4,827 521,048 3,8622 7 1 1 5,512 0,175024260718093 BBB+ HIA+ Caco2+
DB00395 mol2, pdbqt 90,65 -3,057 260,333 2,1124 6 2 0 -6,8496 0,266761317545293 BBB+ HIA+ Caco2-
DB00396 mol2, pdbqt 34,14 -4,542 314,467 4,019 2 0 0 0,77149 0,33462552563912 BBB+ HIA+ Caco2+
DB00397 mol2, pdbqt 46,25 -1,518 151,208 0,3838 2 2 0 0,19006 0,752732169508559 BBB+ HIA+ Caco2+
DB00398 mol2, pdbqt 92,35 -6,689 464,83 4,1428 7 3 0 -5,1185 0,198405893946852 BBB+ HIA+ Caco2-
DB00399 mol2, pdbqt 172,73 2,453 272,089 -8,0158 9 5 0 -6,8035 0,485160490184651 BBB+ HIA- Caco2-
DB00400 mol2, pdbqt 71,06 -3,962 352,769 2,3697 6 0 0 0,7105 0,390259157767974 BBB+ HIA+ Caco2+
DB00401 mol2, pdbqt 110,45 -3,962 388,419 2,6331 8 1 0 -1,704 0,258107162534295 BBB- HIA+ Caco2+
DB00402 mol2, pdbqt 91,76 -1,742 388,814 0,7142 9 0 0 3,3902 0,858977521316044 BBB+ HIA+ Caco2+
Page 
 of 344
Records 261 to 280 of 6870
These data are only available for scientific research purposes.