• Drug Bank
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Records 5061 to 5080 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
DB07391 mol2, pdbqt 158,69 -1,559 197,237 0,1086 5 1 0 -2,6702 0,515438399453165 BBB+ HIA+ Caco2-
DB07392 mol2, pdbqt 170,92 -3,134 215,687 2,0257 5 2 0 1,3079 0,103739931469337 BBB+ HIA+ Caco2+
DB07393 mol2, pdbqt 270,93 -2,819 368,419 5,2621 2 0 1 -19,537 0,31140886773245 BBB+ HIA+ Caco2-
DB07394 mol2, pdbqt 350,12 -3,7 460,521 2,3693 8 1 0 0,76856 0,469518795980669 BBB+ HIA+ Caco2-
DB07395 mol2, pdbqt 286,21 -5,989 438,692 4,975 7 3 0 0,16977 0,309334518818925 BBB+ HIA- Caco2-
DB07396 mol2, pdbqt 314,35 -5,894 455,819 3,3272 7 3 0 3,1768 0,474404919860003 BBB+ HIA+ Caco2-
DB07397 mol2, pdbqt 330,39 -4,472 467,505 0,4191 10 4 0 3,8987 0,640365871359876 BBB+ HIA+ Caco2-
DB07398 mol2, pdbqt 192,74 -3,815 264,348 1,9817 4 2 0 0,37062 0,667100341982092 BBB+ HIA+ Caco2-
DB07400 mol2, pdbqt 337,31 -3,161 419,524 0,2179 9 4 0 -7,9536 0,399973885286486 BBB+ HIA+ Caco2-
DB07401 mol2, pdbqt 318,99 -7,072 403,393 2,9412 8 0 0 -6,5997 0,231237491130914 BBB+ HIA+ Caco2+
DB07403 mol2, pdbqt 317,28 -4,593 478,874 2,6773 7 2 0 -4,7777 0,240974435856903 BBB+ HIA+ Caco2-
DB07404 mol2, pdbqt 296,24 -3,739 434,32 -2,3165 7 5 0 -10,864 0,37516798073714 BBB+ HIA- Caco2-
DB07405 mol2, pdbqt 275,64 -4,126 382,373 1,0247 7 2 0 -1,5457 0,448021583048269 BBB+ HIA+ Caco2-
DB07406 mol2, pdbqt 326,88 -3,584 440,527 2,0336 9 4 0 7,2932 0,735302976640074 BBB- HIA+ Caco2-
DB07407 mol2, pdbqt 169,07 -3,107 218,207 2,0136 4 1 0 0,33408 0,709947085082785 BBB+ HIA+ Caco2+
DB07408 mol2, pdbqt 170,48 -3,549 233,179 1,162 6 1 0 -4,7996 0,442599662408158 BBB+ HIA+ Caco2-
DB07409 mol2, pdbqt 296,24 -3,739 434,32 -2,3165 7 5 0 -10,864 0,37516798073714 BBB+ HIA- Caco2-
DB07410 mol2, pdbqt 295,37 -4,313 448,303 -2,2072 8 5 0 -10,822 0,343410306784731 BBB+ HIA+ Caco2-
DB07411 mol2, pdbqt 135,34 0,678 164,999 1,4578 3 3 0 -12,886 0,4877876732077 BBB+ HIA+ Caco2+
DB07412 mol2, pdbqt 155,3 -3,662 183,253 2,3237 1 1 0 -2,0712 0,476879997004841 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5061 to 5080 of 6870
These data are only available for scientific research purposes.