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Records 2221 to 2240 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
178436 BDB-kin222582.mol2, BDB-kin222582.pdbqt 401,83 121,81 -6,019 531,615 3,7242 11 2 2 2,4169 0,38004342821877
178437 BDB-kin222583.mol2, BDB-kin222583.pdbqt 382,57 126,35 -5,489 529,567 2,7511 11 2 2 -7,8125 0,11140687674713
178438 BDB-kin222584.mol2, BDB-kin222584.pdbqt 408,68 121,81 -6,272 561,616 3,5051 11 2 2 1,3795 0,32944129606389
178439 BDB-kin222585.mol2, BDB-kin222585.pdbqt 405,2 129,15 -5,84 556,637 3,0168 11 3 2 1,4485 0,369664374242885
178440 BDB-kin222586.mol2, BDB-kin222586.pdbqt 385,68 118,15 -4,717 516,572 2,267 11 2 2 0,76526 0,464385729676949
178441 BDB-kin222587.mol2, BDB-kin222587.pdbqt 428,46 138,38 -4,997 574,652 2,4865 12 3 2 -0,31285 0,331302430866629
178442 BDB-kin222588.mol2, BDB-kin222588.pdbqt 471,26 121,39 -6,706 633,723 4,1435 12 2 2 1,7488 9,54988699433842E-02
178443 BDB-kin222589.mol2, BDB-kin222589.pdbqt 375,68 108,92 -5,366 500,573 3,2202 10 2 1 1,7596 0,363115554741702
178444 BDB-kin222590.mol2, BDB-kin222590.pdbqt 420,94 121,81 -6,64 575,643 3,903 11 2 2 -0,72687 0,21700214651812
178445 BDB-kin222591.mol2, BDB-kin222591.pdbqt 438,14 121,81 -7,074 629,613 4,4074 11 2 2 -4,4705 0,135646659143115
178446 BDB-kin222592.mol2, BDB-kin222592.pdbqt 408,18 121,81 -5,808 549,605 3,4736 11 2 2 1,0769 0,352464143532106
178447 BDB-kin222593.mol2, BDB-kin222593.pdbqt 462,43 147,17 -5,852 617,709 2,7437 14 2 2 3,0888 0,361883796133838
178448 BDB-kin222594.mol2, BDB-kin222594.pdbqt 469,28 147,17 -6,63 647,71 2,876 14 2 2 0,53569 0,257196460755037
178449 BDB-kin222595.mol2, BDB-kin222595.pdbqt 442,26 137,94 -6,563 605,673 3,1034 13 2 2 2,0492 0,315289025818416
178450 BDB-kin222596.mol2, BDB-kin222596.pdbqt 512,9 157,92 -7,374 722,84 3,903 14 2 2 2,1857 0,086360538175389
178451 BDB-kin222597.mol2, BDB-kin222597.pdbqt 512,07 141,7 -7,269 702,785 4,5443 14 2 2 0,43702 6,89138077972857E-02
178452 BDB-kin222598.mol2, BDB-kin222598.pdbqt 490,34 154,68 -7,299 693,799 3,489 13 2 2 -3,0262 5,08918322729014E-02
178453 BDB-kin222599.mol2, BDB-kin222599.pdbqt 373,46 126,35 -5,253 511,577 2,6033 11 2 2 -13,798 0,252245124466688
178454 BDB-kin222600.mol2, BDB-kin222600.pdbqt 393,57 126,35 -5,867 543,594 3,1104 11 2 2 -12,989 0,074762233430914
178455 BDB-kin222601.mol2, BDB-kin222601.pdbqt 430,94 131,04 -6,815 591,642 3,7865 12 2 2 1,4456 0,285332267508347
These data are only available for scientific research purposes.