• Drug Bank
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 of 344
Records 3061 to 3080 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
DB03469 mol2, pdbqt 449,38 -7,151 713,499 1,1203 14 5 2 -1,451 0,10453000362058 BBB- HIA+ Caco2-
DB03470 mol2, pdbqt 553,58 -2,175 723,871 -10,65 19 11 3 -18,862 0,258499514073936 BBB- HIA- Caco2-
DB03471 mol2, pdbqt 336,54 -5,098 395,541 5,8356 4 2 1 -5,0615 0,214894302049682 BBB+ HIA+ Caco2-
DB03472 mol2, pdbqt 373,83 -2,553 508,602 -0,0076001 11 7 3 -18,665 0,352699738030342 BBB+ HIA- Caco2-
DB03473 mol2, pdbqt 127,61 -0,413 160,172 -3,4049 5 3 0 -16,43 0,493280634654268 BBB+ HIA- Caco2-
DB03474 mol2, pdbqt 386,32 -3,152 612,58 -2,8912 18 7 3 -6,6698 3,64458944661483E-02 BBB- HIA+ Caco2-
DB03475 mol2, pdbqt 266,06 -3,084 350,413 1,1602 7 4 0 -5,6704 0,431497702811592 BBB- HIA+ Caco2-
DB03476 mol2, pdbqt 221,71 -4,681 286,377 4,3975 2 2 0 -0,0035154 0,469704491755086 BBB+ HIA+ Caco2-
DB03477 mol2, pdbqt 265,93 -4,664 446,246 2,9701 5 1 0 -9,1 0,308716508554363 BBB+ HIA+ Caco2+
DB03478 mol2, pdbqt 378,03 -0,335 601,354 -7,4421 20 7 3 -29,91 0,305715686379389 BBB+ HIA- Caco2-
DB03479 mol2, pdbqt 165,7 0,021 262,217 -3,4553 9 5 0 1,5917 0,887466596121731 BBB- HIA- Caco2-
DB03480 mol2, pdbqt 268,85 -6,857 357,383 5,3148 3 1 1 -2,9264 0,195792578757855 BBB+ HIA+ Caco2+
DB03481 mol2, pdbqt 529,59 -3,44 788,698 -6,2299 22 11 3 -34,965 0,235219741069896 BBB- HIA- Caco2-
DB03482 mol2, pdbqt 532,28 -2,23 814,597 -8,4234 25 9 3 -30,203 0,248068487224705 BBB- HIA- Caco2-
DB03483 mol2, pdbqt 543,2 -5,167 804,578 -2,7503 16 10 3 -15,224 0,186848993532024 BBB+ HIA- Caco2-
DB03484 mol2, pdbqt 152,38 1,315 215,141 -5,8927 7 4 0 -33,697 0,491619123638719 BBB+ HIA- Caco2-
DB03485 mol2, pdbqt 110,16 -0,256 164,156 -1,6941 5 4 0 0,38132 0,786241014425603 BBB+ HIA- Caco2-
DB03486 mol2, pdbqt 272,12 -0,676 441,229 -7,2712 15 8 2 -26,618 0,41460876558059 BBB+ HIA- Caco2-
DB03487 mol2, pdbqt 81,85 -0,56 114,104 -2,0734 4 2 0 -1,805 0,564318352827967 BBB+ HIA+ Caco2-
DB03488 mol2, pdbqt 345,23 1,292 568,292 -8,4625 18 8 3 -32,81 0,326165416136003 BBB+ HIA- Caco2-
Page 
 of 344
Records 3061 to 3080 of 6870
These data are only available for scientific research purposes.