• Drug Bank
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 of 344
Records 4981 to 5000 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
DB07309 mol2, pdbqt 231,21 -4,532 390,64 2,775 5 2 0 -0,83363 0,44729493630543 BBB- HIA+ Caco2-
DB07310 mol2, pdbqt 212,67 -4,201 320,309 2,7559 3 1 0 -2,3773 0,413712567067464 BBB+ HIA+ Caco2-
DB07311 mol2, pdbqt 261,93 -4,832 348,789 3,1666 7 2 0 -5,8752 0,334704253434142 BBB+ HIA+ Caco2-
DB07312 mol2, pdbqt 242,37 -6,273 377,635 4,158 5 1 0 2,4538 0,162219421787063 BBB+ HIA+ Caco2-
DB07313 mol2, pdbqt 209,42 -3,306 291,326 1,7877 5 2 0 -8,7692 0,435240572689905 BBB+ HIA+ Caco2-
DB07314 mol2, pdbqt 252,86 -4,148 333,734 1,5062 8 2 0 -4,0755 0,400477146675983 BBB+ HIA+ Caco2+
DB07315 mol2, pdbqt 240,78 -3,861 330,77 2,2692 5 4 0 2,4422 0,770351545726921 BBB+ HIA+ Caco2-
DB07316 mol2, pdbqt 315,11 -3,863 453,503 2,5377 6 2 0 -1,3318 0,417319834059051 BBB+ HIA+ Caco2-
DB07317 mol2, pdbqt 151,2 -2,313 189,213 0,8977 3 1 0 0,64445 0,785655983741114 BBB+ HIA+ Caco2+
DB07318 mol2, pdbqt 234,09 -3,781 320,298 0,8096 6 3 0 1,8721 0,778161600793744 BBB+ HIA+ Caco2-
DB07319 mol2, pdbqt 199,57 -6,268 316,161 2,9197 5 2 0 -3,595 4,85575445364469E-02 BBB+ HIA+ Caco2+
DB07320 mol2, pdbqt 309,49 -5,993 401,508 2,6881 5 3 0 2,0384 0,302705200710627 BBB+ HIA+ Caco2-
DB07321 mol2, pdbqt 329,99 -7,389 480,327 4,4217 8 1 0 1,651 0,114710770290734 BBB- HIA+ Caco2-
DB07322 mol2, pdbqt 238,7 -4,054 331,391 2,6006 5 2 0 -11,666 0,388118868186117 BBB+ HIA+ Caco2-
DB07323 mol2, pdbqt 320,13 -4,399 432,515 1,9717 6 2 0 -3,6164 0,279188816459903 BBB- HIA+ Caco2-
DB07324 mol2, pdbqt 257,39 -3,414 321,339 0,3439 7 2 0 -5,7356 0,432864839025754 BBB+ HIA+ Caco2-
DB07325 mol2, pdbqt 283,06 -2,924 389,435 0,0221 9 3 0 -2,344 0,274837311934086 BBB- HIA+ Caco2-
DB07326 mol2, pdbqt 298,9 -6,339 433,776 4,3072 7 2 0 -4,8892 0,214032120776664 BBB+ HIA+ Caco2-
DB07327 mol2, pdbqt 262,78 -5,317 440,134 3,0028 4 2 0 0,11466 0,42704910555283 BBB+ HIA+ Caco2+
DB07328 mol2, pdbqt 308,79 -2,943 403,481 0,2214 9 4 0 4,2858 0,821526806950672 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4981 to 5000 of 6870
These data are only available for scientific research purposes.