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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2554 2554.mol2, BDB-kin2554.pdbqt 295,12 128,6 -4,663 444,353 1,9471 8 4 0 -1,4578 0,382027195514477
2556 2556.mol2, BDB-kin2556.pdbqt 295,12 128,6 -4,663 444,353 1,9471 8 4 0 -1,4578 0,382027195514477
2558 2558.mol2, BDB-kin2558.pdbqt 308,88 128,6 -4,895 458,38 2,4441 8 4 0 -1,6686 0,345680648855851
2559 2559.mol2, BDB-kin2559.pdbqt 308,88 128,6 -4,895 458,38 2,4441 8 4 0 -1,6686 0,345680648855851
2565 2565.mol2, BDB-kin2565.pdbqt 285,12 119,37 -5,274 428,354 2,9429 7 4 0 -0,44508 0,399751725581182
2576 2576.mol2, BDB-kin2576.pdbqt 295,29 119,37 -5,383 442,381 3,3235 7 4 0 -0,30983 0,383774641951905
2577 2577.mol2, BDB-kin2577.pdbqt 295,29 119,37 -5,383 442,381 3,3235 7 4 0 -0,30983 0,383774641951905
2578 2578.mol2, BDB-kin2578.pdbqt 293,79 119,37 -5,495 442,381 3,1704 7 4 0 -3,1465 0,16699934883032
2579 2579.mol2, BDB-kin2579.pdbqt 322,44 69,45 -6,769 466,539 4,4396 7 2 0 4,7259 0,373119598622656
2580 2580.mol2, BDB-kin2580.pdbqt 308,23 94,72 -6,49 467,48 4,0177 8 2 0 1,9148 0,381914302368002
2581 2581.mol2, BDB-kin2581.pdbqt 220,27 60,68 -5,91 311,343 3,2829 4 3 0 1,295 0,505622036774573
2582 2582.mol2, BDB-kin2582.pdbqt 248,84 68,96 -3,193 341,369 1,8368 5 2 0 3,8631 0,842826366827932
2583 2583.mol2, BDB-kin2583.pdbqt 237,74 77,75 -3,555 327,342 1,5839 5 3 0 3,3968 0,826828908913365
2584 2584.mol2, BDB-kin2584.pdbqt 239,82 77,75 -4,335 329,358 2,8377 5 3 0 3,2934 0,729079463609554
2585 2585.mol2, BDB-kin2585.pdbqt 239,82 77,75 -4,335 329,358 2,8377 5 3 0 3,2934 0,729079463609554
2586 2586.mol2, BDB-kin2586.pdbqt 233,75 60,68 -3,573 313,359 2,1501 4 3 0 3,6745 0,825902299854475
2587 2587.mol2, BDB-kin2587.pdbqt 238,84 80,91 -3,387 329,358 1,7996 5 4 0 3,6369 0,836722044366494
2588 2588.mol2, BDB-kin2588.pdbqt 236,28 74,95 -3,691 328,326 1,7274 5 2 0 -14,712 0,248329993752093
2589 2589.mol2, BDB-kin2589.pdbqt 242,93 89,19 -3,333 343,341 0,9236 6 3 0 2,2073 0,648187699902883
2590 2590.mol2, BDB-kin2590.pdbqt 249,63 66,89 -3,218 341,369 1,7167 5 2 0 4,464 0,847255325694414
These data are only available for scientific research purposes.