• Drug Bank
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 of 344
Records 6541 to 6560 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
DB09048 mol2, pdbqt 39,68 -7,047 578,599 6,7056 5 0 2 -0,11387 0,151386147494221 BBB+ HIA+ Caco2+
DB09049 mol2, pdbqt 126,77 -2,409 651,791 1,1643 12 2 2 -11,265 0,163190668786433 BBB+ HIA+ Caco2+
DB09050 mol2, pdbqt 353,97 -1,585 667,707 -4,6284 20 8 3 10,462 0,550027584515077 BBB- HIA+ Caco2-
DB09053 mol2, pdbqt 99,16 -6,321 440,506 3,6932 8 1 0 -2,4084 7,51497370871527E-02 BBB+ HIA+ Caco2-
DB09054 mol2, pdbqt 99,16 -6,049 415,431 2,858 8 2 0 1,6037 0,473950040997443 BBB+ HIA+ Caco2-
DB09060 mol2, pdbqt 138,62 0,332 265,245 -2,6889 9 2 0 4,2232 0,346405640237933 BBB- HIA- Caco2-
DB09061 mol2, pdbqt 40,46 -4,493 314,467 6,5371 2 2 1 -29,092 0,22730061152566 BBB+ HIA+ Caco2+
DB09063 mol2, pdbqt 113,62 -7,927 558,145 6,2583 8 3 2 1,315 0,191110087978176 BBB- HIA+ Caco2-
DB09065 mol2, pdbqt 194,5 -5,495 776,037 4,7812 12 3 2 -7,6232 0,138725093376501 BBB- HIA+ Caco2-
DB09067 mol2, pdbqt 2014,4 -13,432 4670,36 -27,508 122 66 3 0,73729 0,209595998991339 BBB- HIA+ Caco2-
DB09068 mol2, pdbqt 54,56 -4,057 299,461 3,694 2 1 0 2,973 0,574827634623304 BBB+ HIA+ Caco2+
DB09069 mol2, pdbqt 42,96 -1,115 266,34 0,898 5 1 0 2,6335 0,737504566945477 BBB+ HIA+ Caco2+
DB09070 mol2, pdbqt 37,3 -4,441 312,451 3,5238 2 1 0 1,1881 0,22468676616178 BBB+ HIA+ Caco2+
DB09071 mol2, pdbqt 41,82 -3,201 245,321 2,9763 3 1 0 0,9625 0,736957355034105 BBB+ HIA+ Caco2+
DB09072 mol2, pdbqt 57,53 -0,492 104,105 -0,317 3 2 0 -7,251 0,296570974861078 BBB+ HIA+ Caco2-
DB09073 mol2, pdbqt 103,35 -4,534 447,541 2,003 9 2 0 1,0162 0,338724117382263 BBB+ HIA+ Caco2-
DB09074 mol2, pdbqt 86,63 -4,264 434,47 3,1591 7 1 0 6,5533 0,6580509612533 BBB+ HIA+ Caco2-
DB09075 mol2, pdbqt 164,87 -2,802 548,066 0,0532 11 3 2 7,361 0,643384505804427 BBB- HIA+ Caco2-
DB09076 mol2, pdbqt 32,7 -4,071 428,594 3,4351 3 1 0 5,0746 0,665287525051309 BBB+ HIA- Caco2+
DB09078 mol2, pdbqt 120,05 -5,915 426,859 3,1284 8 4 0 1,2223 0,272251949171236 BBB+ HIA+ Caco2-
Page 
 of 344
Records 6541 to 6560 of 6870
These data are only available for scientific research purposes.