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Records 401 to 420 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115858 BDB-kin116036.mol2, BDB-kin116036.pdbqt 383,01 88,24 -4,277 490,556 4,2682 7 1 0 1,8033 0,497617264441082
115859 BDB-kin116037.mol2, BDB-kin116037.pdbqt 372,01 88,24 -3,899 476,529 3,9089 7 1 0 3,0809 0,587480619800561
115860 BDB-kin116038.mol2, BDB-kin116038.pdbqt 385,77 88,24 -4,169 490,556 4,3633 7 1 0 2,8239 0,521054636727672
115861 BDB-kin116039.mol2, BDB-kin116039.pdbqt 395,77 97,47 -3,52 506,555 3,4101 8 1 1 2,105 0,581288814747293
115862 BDB-kin116040.mol2, BDB-kin116040.pdbqt 410,03 97,47 -4,284 532,593 3,8943 8 1 1 -2,0887 0,285108316611782
115863 BDB-kin116041.mol2, BDB-kin116041.pdbqt 386,27 88,24 -4,415 502,567 4,227 7 1 1 3,5657 0,508826258128314
115864 BDB-kin116042.mol2, BDB-kin116042.pdbqt 393,18 88,24 -4,386 504,583 4,6488 7 1 1 0,58799 0,399318179770189
115865 BDB-kin116043.mol2, BDB-kin116043.pdbqt 410,03 97,47 -4,284 532,593 3,8943 8 1 1 -1,3569 0,309388138851518
115866 BDB-kin116044.mol2, BDB-kin116044.pdbqt 318,67 85 -4,03 407,423 3,4242 6 1 0 -3,029 0,361422864385472
115867 BDB-kin116045.mol2, BDB-kin116045.pdbqt 335,69 85 -4,716 433,461 4,2152 6 1 0 -1,7146 0,322425330053279
115868 BDB-kin116046.mol2, BDB-kin116046.pdbqt 307,57 93,79 -4,392 393,396 3,1577 6 2 0 -3,9779 0,348226536612981
115869 BDB-kin116047.mol2, BDB-kin116047.pdbqt 384,67 106,26 -3,882 492,528 2,8265 8 2 0 -1,5936 0,370146582298506
115870 BDB-kin116048.mol2, BDB-kin116048.pdbqt 347,15 97,03 -3,961 448,476 3,2497 7 2 0 -1,4696 0,394115609929283
115872 BDB-kin116049.mol2, BDB-kin116049.pdbqt 349,64 88,24 -3,857 456,524 3,416 7 1 0 0,29192 0,514597160266411
115875 BDB-kin116050.mol2, BDB-kin116050.pdbqt 396,6 103,46 -5,05 518,015 4,457 8 1 1 -0,50862 0,301909846176011
115876 BDB-kin116051.mol2, BDB-kin116051.pdbqt 392,19 105,23 -5,234 504,032 5,0441 7 2 2 -0,91586 0,256691991525319
115882 BDB-kin116052.mol2, BDB-kin116052.pdbqt 412,92 88,24 -4,94 529,086 5,2406 7 1 2 4,0301 0,382163229430234
115894 BDB-kin116053.mol2, BDB-kin116053.pdbqt 357,26 105,23 -4,695 461,952 4,1095 7 2 0 0,095057 0,413443458020747
115896 BDB-kin116054.mol2, BDB-kin116054.pdbqt 385,4 88,24 -4,4 501,032 4,5566 7 1 1 2,7383 0,480420293447719
115899 BDB-kin116055.mol2, BDB-kin116055.pdbqt 409,09 97,47 -3,829 498,629 4,5461 8 1 0 3,3226 0,524985117286702
These data are only available for scientific research purposes.