• Drug Bank
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Records 641 to 660 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
DB00784 mol2, pdbqt 49,33 -3,895 241,289 3,3629 3 2 0 -0,89705 0,182701509983253 BBB+ HIA+ Caco2+
DB00786 mol2, pdbqt 127,76 -1,954 331,411 -0,2222 8 5 0 -4,1101 0,466286886669111 BBB+ HIA+ Caco2-
DB00787 mol2, pdbqt 114,76 -1,617 225,207 -1,445 8 3 0 2,7874 0,93728538436481 BBB+ HIA+ Caco2-
DB00788 mol2, pdbqt 46,53 -3,586 230,262 2,6947 3 1 0 0,36151 0,671532633439826 BBB+ HIA+ Caco2+
DB00789 mol2, pdbqt 196,22 2,472 393,348 -8,4274 13 5 1 -7,634 0,445693357402925 BBB- HIA- Caco2-
DB00790 mol2, pdbqt 95,94 -2,776 368,472 -0,0272 7 2 0 -7,7925 0,433687378704717 BBB- HIA+ Caco2-
DB00791 mol2, pdbqt 61,44 -2,215 252,1 -0,0496 5 2 0 5,9679 0,203714790743157 BBB+ HIA+ Caco2-
DB00792 mol2, pdbqt 19,37 -2,128 255,364 2,0244 3 0 0 5,2855 0,55399825409675 BBB+ HIA+ Caco2+
DB00793 mol2, pdbqt 9,23 -4,922 361,389 4,5492 1 0 0 -3,9136 3,72076410892813E-02 BBB+ HIA+ Caco2+
DB00794 mol2, pdbqt 58,2 -2,655 218,255 0,75 4 2 0 4,1345 0,200138429260927 BBB+ HIA+ Caco2-
DB00795 mol2, pdbqt 149,69 -4,888 398,398 2,6508 9 3 0 -8,1467 6,99368353177167E-02 BBB- HIA+ Caco2-
DB00796 mol2, pdbqt 118,81 -6,25 440,462 3,6956 9 2 0 -3,3697 0,235779229055486 BBB+ HIA+ Caco2-
DB00797 mol2, pdbqt 24,39 -1,788 160,219 1,0539 2 1 0 3,4066 0,568675481328682 BBB+ HIA+ Caco2-
DB00798 mol2, pdbqt 199,73 -1,181 477,6 -4,2052 12 8 2 4,8824 0,772032650609517 BBB- HIA- Caco2-
DB00799 mol2, pdbqt 64,49 -4,378 351,469 3,8565 3 0 0 -8,9717 0,336720941318143 BBB+ HIA+ Caco2+
DB00800 mol2, pdbqt 72,72 -2,95 305,76 2,3636 4 4 0 0,75 0,731355009456445 BBB+ HIA+ Caco2-
DB00801 mol2, pdbqt 32,67 -5,712 352,742 3,8752 3 0 0 -3,1033 0,101486991319015 BBB+ HIA+ Caco2+
DB00802 mol2, pdbqt 81,05 -2,317 416,524 2,1214 9 0 0 6,9871 0,815325838307594 BBB+ HIA+ Caco2-
DB00803 mol2, pdbqt 529,05 -4,568 1155,45 -4,873 29 18 3 -1,3439 0,193934994070274 BBB- HIA+ Caco2-
DB00804 mol2, pdbqt 29,54 -3,439 309,492 3,6609 3 0 0 7,92 0,468313349342821 BBB+ HIA+ Caco2+
Page 
 of 344
Records 641 to 660 of 6870
These data are only available for scientific research purposes.