• Drug Bank
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Records 5001 to 5020 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
DB07329 mol2, pdbqt 250,36 -1,888 346,275 -3,8749 9 3 0 -25,243 0,455917383817592 BBB- HIA- Caco2-
DB07330 mol2, pdbqt 226,58 -2,15 286,378 2,1789 5 2 0 6,1698 0,910570562794914 BBB+ HIA+ Caco2-
DB07331 mol2, pdbqt 134,79 -2,054 181,147 0,2212 5 1 0 -6,7543 0,480868942226666 BBB+ HIA+ Caco2+
DB07332 mol2, pdbqt 256,36 -5,121 351,232 2,7644 4 2 0 1,972 0,609505289601835 BBB+ HIA+ Caco2+
DB07333 mol2, pdbqt 353,79 -6,37 476,556 4,3202 8 2 0 4,8463 0,234655677494594 BBB+ HIA+ Caco2-
DB07334 mol2, pdbqt 328,07 -6,342 435,503 4,0604 7 1 0 1,939 0,245668600393047 BBB+ HIA+ Caco2-
DB07335 mol2, pdbqt 204,99 -3,728 269,307 1,5805 6 2 0 2,3542 0,813664711559582 BBB+ HIA+ Caco2+
DB07336 mol2, pdbqt 267,25 -5,546 356,384 3,4472 6 3 0 1,642 0,254271166055773 BBB+ HIA+ Caco2-
DB07337 mol2, pdbqt 284,1 -6,214 375,822 3,7512 7 3 0 -5,0356 0,149701812725861 BBB+ HIA+ Caco2-
DB07338 mol2, pdbqt 235,67 -5,9 361,659 3,073 6 1 0 -13,854 9,99650764275067E-02 BBB+ HIA+ Caco2-
DB07339 mol2, pdbqt 126,59 -0,4 179,174 -0,6563 4 1 0 1,8328 0,915165640855472 BBB+ HIA+ Caco2+
DB07340 mol2, pdbqt 306,03 -5,779 393,493 3,1019 8 3 0 -3,0895 0,102841680509258 BBB+ HIA+ Caco2-
DB07341 mol2, pdbqt 321,28 -2,479 421,529 0,4837 9 5 0 -16,172 0,411630615965844 BBB- HIA- Caco2-
DB07342 mol2, pdbqt 182,7 -2,176 244,337 1,5071 3 0 0 4,8165 0,932593318452614 BBB+ HIA+ Caco2+
DB07343 mol2, pdbqt 271,59 -7,998 373,202 4,3775 7 2 0 -5,1715 5,69932966169653E-02 BBB+ HIA+ Caco2-
DB07344 mol2, pdbqt 233,47 -0,082 266,332 -0,412 6 1 0 -21,677 0,173838490589336 BBB+ HIA+ Caco2+
DB07345 mol2, pdbqt 183,45 -3,159 219,327 2,8857 2 2 0 -6,2042 0,43421660485881 BBB+ HIA+ Caco2+
DB07346 mol2, pdbqt 141,67 -1,895 165,235 1,5084 2 2 0 -2,3613 0,518953881481126 BBB- HIA+ Caco2+
DB07347 mol2, pdbqt 144,23 -0,103 203,236 1,1723 3 1 0 -6,5817 0,292025008744937 BBB+ HIA+ Caco2-
DB07348 mol2, pdbqt 223,51 -2,933 280,363 2,4455 4 2 0 -9,2257 0,439726951359272 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5001 to 5020 of 6870
These data are only available for scientific research purposes.