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Records 1961 to 1980 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174712 BDB-kin178318.mol2, BDB-kin178318.pdbqt 340,35 101,86 -4,923 439,514 1,8561 9 2 0 2,0708 0,587764958722144
174713 BDB-kin178319.mol2, BDB-kin178319.pdbqt 338,34 113,62 -5,856 435,483 2,5291 9 1 0 -6,0938 0,157966537750781
174714 BDB-kin178320.mol2, BDB-kin178320.pdbqt 340,95 93,07 -5,356 451,525 2,8759 9 1 0 -0,33847 0,388367845774806
174715 BDB-kin178321.mol2, BDB-kin178321.pdbqt 328,76 54,38 -7,324 437,973 4,9238 6 0 0 0,071369 0,210683290284439
174716 BDB-kin178322.mol2, BDB-kin178322.pdbqt 342,52 54,38 -7,594 452 5,3782 6 0 1 0,34421 0,244455609597159
174717 BDB-kin178323.mol2, BDB-kin178323.pdbqt 328,76 54,38 -7,324 437,973 4,9238 6 0 0 0,071369 0,210683290284439
174718 BDB-kin178324.mol2, BDB-kin178324.pdbqt 336 63,61 -6,813 453,972 4,0845 7 0 0 2,6515 0,386228256224505
174719 BDB-kin178325.mol2, BDB-kin178325.pdbqt 314 63,61 -6,057 425,919 3,4351 7 0 0 2,3412 0,469324112162618
174720 BDB-kin178326.mol2, BDB-kin178326.pdbqt 342,77 97,47 -6,657 466,971 3,1943 8 1 0 5,2952 0,429647419117348
174723 BDB-kin178327.mol2, BDB-kin178327.pdbqt 360,93 113,6 -5,281 476,583 1,8795 10 1 0 6,0145 0,548750544887438
174724 BDB-kin178328.mol2, BDB-kin178328.pdbqt 351,95 93,07 -5,601 465,552 2,4865 9 1 0 1,4071 0,470640755479456
174725 BDB-kin178329.mol2, BDB-kin178329.pdbqt 351,95 93,07 -5,601 465,552 2,4865 9 1 0 1,4071 0,470640755479456
174727 BDB-kin178330.mol2, BDB-kin178330.pdbqt 328,56 93,74 -6,344 432,479 2,992 8 1 0 1,6218 0,440715382049379
174728 BDB-kin178331.mol2, BDB-kin178331.pdbqt 358,41 97,67 -7,318 470,527 3,6996 8 1 0 -0,70978 0,164306445738517
174729 BDB-kin178332.mol2, BDB-kin178332.pdbqt 358,98 100,83 -6,878 472,543 3,169 8 2 0 1,4071 0,37591663373471
174730 BDB-kin178333.mol2, BDB-kin178333.pdbqt 398,63 80,6 -9,08 518,615 5,4255 7 1 2 1,4071 0,230904039385949
174731 BDB-kin178334.mol2, BDB-kin178334.pdbqt 361,15 106,62 -6,954 471,559 2,7712 8 2 0 1,2885 0,37787545753124
174733 BDB-kin178335.mol2, BDB-kin178335.pdbqt 386,64 163,72 -7,467 531,524 2,3298 12 2 2 -3,5717 0,188444345529788
174734 BDB-kin178336.mol2, BDB-kin178336.pdbqt 378,88 106,9 -7,135 500,553 3,6793 9 1 1 -0,82907 0,241574881440601
174735 BDB-kin178337.mol2, BDB-kin178337.pdbqt 362,54 126,42 -7,454 487,515 2,8447 10 1 0 -3,6465 0,201613787451677
These data are only available for scientific research purposes.