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Records 1501 to 1520 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
172231 BDB-kin174347.mol2, BDB-kin174347.pdbqt 346,39 81,34 -4,417 434,926 3,7918 6 1 0 0,87703 0,522412398038612
172232 BDB-kin174348.mol2, BDB-kin174348.pdbqt 308,87 72,11 -4,496 390,873 3,8843 5 1 0 -1,4203 0,379832408641474
172233 BDB-kin174349.mol2, BDB-kin174349.pdbqt 229,21 80,48 -2,69 275,314 1,4666 5 2 0 -1,3266 0,551367148413249
172234 BDB-kin174350.mol2, BDB-kin174350.pdbqt 394,92 75,35 -5,106 497,616 5,0868 6 1 1 -1,0425 0,258679282030712
172235 BDB-kin174351.mol2, BDB-kin174351.pdbqt 372,71 75,35 -4,189 461,995 4,0385 6 1 0 2,8837 0,572156522478943
172236 BDB-kin174352.mol2, BDB-kin174352.pdbqt 337,32 81,34 -3,995 418,471 3,2866 6 1 0 -0,50799 0,475028586332944
172237 BDB-kin174353.mol2, BDB-kin174353.pdbqt 349,88 75,35 -3,497 431,513 3,0789 6 1 0 -1,4597 0,428473263836207
172238 BDB-kin174354.mol2, BDB-kin174354.pdbqt 326,82 81,34 -4,141 416,455 3,3481 6 1 0 -2,3734 0,367728820580471
172239 BDB-kin174355.mol2, BDB-kin174355.pdbqt 388,07 75,35 -4,589 485,605 5,0193 6 1 1 0,58799 0,379360636488022
172240 BDB-kin174356.mol2, BDB-kin174356.pdbqt 342,29 88,24 -2,412 414,511 2,0312 7 1 0 -0,11968 0,600725020999375
172241 BDB-kin174357.mol2, BDB-kin174357.pdbqt 343,49 94,23 -3,18 415,496 2,6933 7 1 0 1,0769 0,672127930513583
172242 BDB-kin174358.mol2, BDB-kin174358.pdbqt 281,11 93,79 -3,351 343,389 2,0649 6 2 0 -2,39 0,453536960870875
172243 BDB-kin174359.mol2, BDB-kin174359.pdbqt 292,21 85 -2,989 357,416 2,3314 6 1 0 -1,474 0,498733220886533
172244 BDB-kin174360.mol2, BDB-kin174360.pdbqt 241,1 69,62 -2,884 289,341 1,6353 5 1 0 -0,2566 0,643434660321952
172245 BDB-kin174361.mol2, BDB-kin174361.pdbqt 350,38 75,35 -3,991 443,524 3,5382 6 1 0 1,2 0,577177801961544
172246 BDB-kin174362.mol2, BDB-kin174362.pdbqt 321,41 92,34 -3,867 404,444 2,8587 6 2 0 -1,1077 0,456707063990165
172247 BDB-kin174363.mol2, BDB-kin174363.pdbqt 335,17 92,34 -4,137 418,471 3,3131 6 2 0 -2,1456 0,224664820570902
172248 BDB-kin174364.mol2, BDB-kin174364.pdbqt 377,9 75,35 -4,343 471,578 4,1392 6 1 0 2,1549 0,530315310311312
172249 BDB-kin174365.mol2, BDB-kin174365.pdbqt 382,99 95,58 -4,375 487,577 3,5788 7 2 0 2,8052 0,445253865484977
172250 BDB-kin174366.mol2, BDB-kin174366.pdbqt 377,9 75,35 -4,561 471,578 4,2865 6 1 0 3,5047 0,524467805247093
These data are only available for scientific research purposes.