• Drug Bank
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Records 3961 to 3980 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
DB04453 mol2, pdbqt 521,07 0,886 807,746 -9,0142 24 17 3 -8,7635 0,255758540916093 BBB- HIA- Caco2-
DB04454 mol2, pdbqt 84,64 -0,676 103,12 -2,5367 3 2 0 -5,8622 0,495898661645136 BBB+ HIA+ Caco2-
DB04455 mol2, pdbqt 105,19 0,683 118,155 -1,9936 3 1 0 -2,6524 0,529079691278082 BBB+ HIA- Caco2+
DB04456 mol2, pdbqt 39,3 3,28 125,943 0 3 3 0 -1,8942 0,17212101942339 BBB+ HIA+ Caco2-
DB04457 mol2, pdbqt 222,76 -0,882 347,223 -5,4275 12 5 1 -16,571 0,46180438700799 BBB+ HIA+ Caco2-
DB04458 mol2, pdbqt 243,87 -3,539 413,162 2,2741 3 1 0 0,28936 0,10369317560878 BBB+ HIA+ Caco2-
DB04459 mol2, pdbqt 141,27 -2,599 215,035 2,8406 2 0 0 -3,613 0,132186716701624 BBB+ HIA+ Caco2+
DB04460 mol2, pdbqt 289,35 1,194 459,3 -7,696 16 8 2 -20,145 6,99009226615899E-02 BBB- HIA- Caco2-
DB04461 mol2, pdbqt 507,88 -6,03 660,765 3,7116 12 8 3 -0,026585 0,236975026001085 BBB+ HIA+ Caco2-
DB04462 mol2, pdbqt 169,47 -4,91 434,711 3,539 3 1 0 -6,5081 0,119258559911955 BBB+ HIA+ Caco2+
DB04463 mol2, pdbqt 215,16 -4,709 283,334 1,7039 6 2 0 1,416 0,672611605528425 BBB+ HIA+ Caco2+
DB04464 mol2, pdbqt 138,37 -1,418 177,223 -0,6233 4 2 0 -1,2449 0,59629175811002 BBB+ HIA+ Caco2-
DB04465 mol2, pdbqt 189,53 0,551 342,296 -4,4579 11 8 2 -7,6104 0,279940466299753 BBB+ HIA- Caco2-
DB04466 mol2, pdbqt 390,32 -5,793 504,538 5,8041 7 1 2 -39,413 0,159506454013727 BBB+ HIA+ Caco2+
DB04467 mol2, pdbqt 224,94 0,774 320,237 -5,6756 9 5 0 -15,046 0,473344288094871 BBB- HIA- Caco2-
DB04469 mol2, pdbqt 221,53 -2,546 274,319 1,8735 5 0 0 0,063319 0,690356009540254 BBB+ HIA+ Caco2+
DB04470 mol2, pdbqt 252,76 -3,693 324,383 0,6758 6 3 0 -0,1435 0,614638779658502 BBB+ HIA+ Caco2-
DB04471 mol2, pdbqt 339,07 -4,685 428,574 5,4188 4 1 1 2,5659 0,452246732700902 BBB+ HIA+ Caco2-
DB04472 mol2, pdbqt 163,46 -1,855 209,184 -0,2678 7 2 0 -11,478 0,481197495198063 BBB+ HIA+ Caco2+
DB04473 mol2, pdbqt 110,16 -0,256 164,156 -1,6941 5 4 0 0,38132 0,786241014425603 BBB+ HIA- Caco2-
Page 
 of 344
Records 3961 to 3980 of 6870
These data are only available for scientific research purposes.