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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115613 BDB-kin115769.mol2, BDB-kin115769.pdbqt 307,63 85 -3,979 391,861 3,413 6 1 0 -1,4203 0,423342647425917
115614 BDB-kin115770.mol2, BDB-kin115770.pdbqt 325,58 94,23 -3,624 417,443 2,8768 7 1 0 -2,3734 0,399306329570832
115615 BDB-kin115771.mol2, BDB-kin115771.pdbqt 334,65 94,23 -4,046 433,898 3,382 7 1 0 -0,98925 0,423728918153228
115616 BDB-kin115772.mol2, BDB-kin115772.pdbqt 329,34 85 -4,513 415,471 4,0408 6 1 0 -3,5053 0,311178681424156
115617 BDB-kin115773.mol2, BDB-kin115773.pdbqt 338,41 85 -4,935 431,926 4,546 6 1 0 -2,1397 0,285882450333691
115618 BDB-kin115774.mol2, BDB-kin115774.pdbqt 287,46 93,79 -3,919 361,379 2,6413 6 2 0 -3,73 0,393543046405242
115619 BDB-kin115775.mol2, BDB-kin115775.pdbqt 333,49 85 -4,002 399,497 4,0352 6 1 0 -0,29241 0,471058893977715
115620 BDB-kin115776.mol2, BDB-kin115776.pdbqt 321,39 85 -4,138 405,888 3,8286 6 1 0 -1,6273 0,383660869742544
115621 BDB-kin115777.mol2, BDB-kin115777.pdbqt 339,34 94,23 -3,783 431,47 3,2924 7 1 0 -2,552 0,371535588971324
115622 BDB-kin115778.mol2, BDB-kin115778.pdbqt 348,91 85 -4,738 433,942 4,6412 6 1 0 -0,24701 0,377477563059457
115623 BDB-kin115804.mol2, BDB-kin115804.pdbqt 352,17 85 -5,094 445,953 4,9616 6 1 0 -2,3491 0,250902471328015
115624 BDB-kin115805.mol2, BDB-kin115805.pdbqt 310,29 93,79 -4,5 391,861 3,5621 6 2 0 -2,5688 0,350662221000431
115625 BDB-kin115806.mol2, BDB-kin115806.pdbqt 294,87 93,79 -3,764 357,416 2,9561 6 2 0 -2,6379 0,412050413322149
115626 BDB-kin115807.mol2, BDB-kin115807.pdbqt 363,6 94,23 -3,907 447,512 3,6853 7 1 0 -0,41758 0,451287037402962
115627 BDB-kin115808.mol2, BDB-kin115808.pdbqt 362,4 88,24 -3,139 446,528 3,0232 7 1 0 -1,6553 0,420597477230155
115628 BDB-kin115809.mol2, BDB-kin115809.pdbqt 376,66 88,24 -3,903 472,566 3,8245 7 1 0 2,6822 0,590692117257054
115629 BDB-kin115810.mol2, BDB-kin115810.pdbqt 347,69 105,23 -3,779 433,486 3,2574 7 2 0 -2,325 0,226360519013372
115630 BDB-kin115811.mol2, BDB-kin115811.pdbqt 301,22 93,79 -4,078 375,406 3,0569 6 2 0 -3,9779 0,371891625142808
115631 BDB-kin115812.mol2, BDB-kin115812.pdbqt 333,93 105,23 -3,509 419,459 2,803 7 2 0 -1,2931 0,451997589590999
115632 BDB-kin115813.mol2, BDB-kin115813.pdbqt 349,84 94,23 -3,637 433,486 3,2309 7 1 0 -0,67905 0,470085049288434
These data are only available for scientific research purposes.