• Drug Bank
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Records 241 to 260 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
DB00359 mol2, pdbqt 106,35 -2,292 250,281 0,0877 6 2 0 4,0925 0,934512682610838 BBB+ HIA+ Caco2+
DB00360 mol2, pdbqt 132 -2,564 241,25 -2,523 8 6 1 3,3288 0,922682792368702 BBB+ HIA+ Caco2-
DB00361 mol2, pdbqt 133,87 -5,153 778,944 3,5875 12 2 2 4,4353 0,338877495149031 BBB- HIA+ Caco2+
DB00362 mol2, pdbqt 377,42 -6,906 1140,25 -0,4951 24 14 3 -1,5563 0,165506299924305 BBB- HIA+ Caco2-
DB00363 mol2, pdbqt 30,87 -3,274 326,83 3,2447 4 1 0 7,5398 0,808479501161081 BBB+ HIA+ Caco2+
DB00364 mol2, pdbqt 839,21 27,107 1448,68 -6,9507 51 16 3 -4,6223 4,36208843753884E-02 BBB+ HIA- Caco2-
DB00366 mol2, pdbqt 25,36 -1,64 270,375 1,8821 3 0 0 4,9909 0,93046680731635 BBB+ HIA+ Caco2+
DB00367 mol2, pdbqt 37,3 -4,587 312,451 3,538 2 1 0 1,4234 0,374347103638843 BBB+ HIA+ Caco2+
DB00368 mol2, pdbqt 86,71 -0,548 169,179 -0,6669 4 4 0 -1,2552 0,288344742079682 BBB- HIA+ Caco2-
DB00369 mol2, pdbqt 155,49 -0,535 279,188 -5,6138 9 4 0 -11,757 0,28844822652048 BBB+ HIA- Caco2-
DB00370 mol2, pdbqt 19,37 -2,67 265,359 2,6638 3 0 0 5,5031 0,885935417698137 BBB+ HIA+ Caco2+
DB00371 mol2, pdbqt 104,64 -2,463 218,252 0,9953 6 2 0 -0,31695 0,400422784911506 BBB+ HIA+ Caco2-
DB00373 mol2, pdbqt 107,98 1,534 316,425 1,0507 7 2 0 9,3969 0,940551091627169 BBB- HIA+ Caco2+
DB00374 mol2, pdbqt 86,99 -4,429 390,518 4,04 5 3 0 -9,1788 0,315661084139535 BBB+ HIA+ Caco2+
DB00375 mol2, pdbqt 88,13 0,523 189,306 -3,3719 5 5 0 -2,28 0,193985451693362 BBB+ HIA+ Caco2+
DB00376 mol2, pdbqt 23,47 -3,66 301,472 4,1605 2 1 0 2,7453 0,706910919537096 BBB+ HIA+ Caco2+
DB00377 mol2, pdbqt 23,55 -3,028 296,413 3,2929 3 0 0 3,3664 0,81829964734074 BBB+ HIA+ Caco2+
DB00378 mol2, pdbqt 34,14 -4,314 312,451 3,7436 2 0 0 0,82654 0,358634810918549 BBB+ HIA+ Caco2+
DB00379 mol2, pdbqt 35,25 -2,569 179,262 1,7185 2 1 0 -1,6012 0,261322998386807 BBB+ HIA+ Caco2+
DB00380 mol2, pdbqt 98,82 0,602 268,272 -2,6903 8 2 0 5,072 0,57947310116778 BBB+ HIA+ Caco2-
Page 
 of 344
Records 241 to 260 of 6870
These data are only available for scientific research purposes.