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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50303303 BDB-kin50304682.mol2, BDB-kin50304682.pdbqt 355,47 100,44 -5,289 464,572 1,1666 10 2 0 7,3065 0,566724473582794
50303304 BDB-kin50304683.mol2, BDB-kin50304683.pdbqt 355,47 100,44 -5,289 464,572 1,1666 10 2 0 7,3819 0,566738272786926
50304665 BDB-kin50304684.mol2, BDB-kin50304684.pdbqt 450,35 169,51 -6,489 634,784 2,6201 12 2 2 7,2734 0,33029788737972
50304666 BDB-kin50304685.mol2, BDB-kin50304685.pdbqt 421,77 126,99 -5,787 570,72 3,0015 10 2 1 8,2951 0,401063834514342
50304667 BDB-kin50304686.mol2, BDB-kin50304686.pdbqt 450,35 169,51 -6,489 634,784 2,6201 12 2 2 7,0087 0,33026321088444
50304668 BDB-kin50304687.mol2, BDB-kin50304687.pdbqt 285,89 104,82 -6,018 396,47 2,9844 7 1 0 -1,7083 0,30495956476461
50304669 BDB-kin50304688.mol2, BDB-kin50304688.pdbqt 287,35 107,62 -5,882 395,486 2,5102 7 2 0 3,757 0,546332296280872
50304670 BDB-kin50304689.mol2, BDB-kin50304689.pdbqt 301,11 107,62 -6,182 409,513 2,9165 7 2 0 3,2318 0,49989749288409
50304671 BDB-kin50305287.mol2, BDB-kin50305287.pdbqt 308,96 107,62 -6,257 427,503 2,6909 7 2 0 1,6784 0,457962096850564
50304672 BDB-kin50305288.mol2, BDB-kin50305288.pdbqt 308,96 127,85 -5,675 425,512 1,9898 8 3 0 3,1152 0,34965931761198
50304673 BDB-kin50305289.mol2, BDB-kin50305289.pdbqt 301,61 107,62 -6,646 421,524 3,0399 7 2 0 3,5527 0,369600523467423
50304674 BDB-kin50305290.mol2, BDB-kin50305290.pdbqt 334,85 107,62 -7,389 457,557 4,2189 7 2 0 2,6706 0,359130145167507
50304675 BDB-kin50305291.mol2, BDB-kin50305291.pdbqt 333,61 120,51 -6,594 458,545 3,218 8 2 0 2,6706 0,425547960883128
50304676 BDB-kin50305292.mol2, BDB-kin50305292.pdbqt 333,61 120,51 -6,594 458,545 3,218 8 2 0 2,6706 0,425547960883128
50304677 BDB-kin50305293.mol2, BDB-kin50305293.pdbqt 375,51 114,1 -5,075 507,661 2,2937 9 2 1 8,9703 0,52981263187377
50304678 BDB-kin50305294.mol2, BDB-kin50305294.pdbqt 404,09 156,62 -5,777 571,725 1,9123 11 2 2 7,8926 0,417063475719766
50304679 BDB-kin50305295.mol2, BDB-kin50305295.pdbqt 389,77 114,1 -5,839 533,699 2,8234 9 2 1 8,9173 0,345963899458872
50304680 BDB-kin50305296.mol2, BDB-kin50305296.pdbqt 418,35 156,62 -6,541 597,763 2,442 11 2 2 7,7337 0,2803538222521
50304681 BDB-kin50305297.mol2, BDB-kin50305297.pdbqt 421,77 126,99 -5,787 570,72 3,0015 10 2 1 8,2951 0,401063834514342
50304682 BDB-kin50305298.mol2, BDB-kin50305298.pdbqt 240,77 86,72 -5,065 339,418 2,7318 5 1 0 1,94 0,620557773262224
These data are only available for scientific research purposes.