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Records 2801 to 2820 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50086441 BDB-kin50092770.mol2, BDB-kin50092770.pdbqt 436,29 105,2 -5,108 576,625 3,9676 9 2 1 -0,81094 0,2687904025396
50089299 BDB-kin50092771.mol2, BDB-kin50092771.pdbqt 353,12 143,58 -7,377 511,532 3,5606 8 1 1 -0,69251 0,239624369284707
50089300 BDB-kin50092772.mol2, BDB-kin50092772.pdbqt 362,13 167,37 -7,522 500,562 3,1946 9 1 1 -5,076 0,188166111325855
50089301 BDB-kin50092773.mol2, BDB-kin50092773.pdbqt 351,78 171,82 -7,419 516,025 4,1588 8 1 1 0,83316 0,283007676308279
50089302 BDB-kin50092774.mol2, BDB-kin50092774.pdbqt 343,12 134,35 -7,202 495,533 3,6771 7 1 0 -0,80054 0,243819999545061
50089303 BDB-kin50092775.mol2, BDB-kin50092775.pdbqt 346,28 134,35 -7,333 515,951 3,9826 7 1 1 -0,6966 0,228343102802707
50089304 BDB-kin50092776.mol2, BDB-kin50092776.pdbqt 339,93 134,35 -7,019 497,961 3,8818 7 1 0 -1,227 0,226236767149154
50089305 BDB-kin50092777.mol2, BDB-kin50092777.pdbqt 344,94 162,59 -7,375 520,444 4,5808 7 1 1 0,75161 0,26278615640324
50089317 BDB-kin50092778.mol2, BDB-kin50092778.pdbqt 355,94 128,23 -6,941 506,492 2,885 9 1 1 -2,294 0,215145620292168
50089318 BDB-kin50092779.mol2, BDB-kin50092779.pdbqt 357,18 115,34 -6,891 505,504 3,603 8 1 1 -2,1153 0,209292200943442
50089319 BDB-kin50092780.mol2, BDB-kin50092780.pdbqt 357,18 115,34 -6,305 505,504 3,1644 8 1 1 -0,90396 0,269909485423177
50089320 BDB-kin50092781.mol2, BDB-kin50092781.pdbqt 357,18 115,34 -7,458 505,504 3,3563 8 1 1 -0,90396 0,236853285891367
50089321 BDB-kin50092782.mol2, BDB-kin50092782.pdbqt 358,42 102,45 -7,408 504,516 4,0743 7 1 1 -0,72528 0,228914587464853
50089328 BDB-kin50092783.mol2, BDB-kin50092783.pdbqt 365,7 141,36 -7,238 520,519 3,2952 9 2 1 -0,71145 0,241944853484875
50089329 BDB-kin50092784.mol2, BDB-kin50092784.pdbqt 357,18 115,34 -6,957 505,504 3,2454 8 1 1 -0,72528 0,255998143559487
50092766 BDB-kin50092785.mol2, BDB-kin50092785.pdbqt 283,24 111,47 -3,851 383,45 0,8137 8 3 0 1,1667 0,693233276514984
50092767 BDB-kin50092786.mol2, BDB-kin50092786.pdbqt 299,15 100,47 -3,979 397,477 1,2416 8 2 0 1,6534 0,699615929446083
50092768 BDB-kin50092787.mol2, BDB-kin50092787.pdbqt 299,15 100,47 -3,979 397,477 1,2416 8 2 0 1,6534 0,699615929446083
50092769 BDB-kin50092788.mol2, BDB-kin50092788.pdbqt 312,91 100,47 -4,031 411,504 1,4363 8 2 0 2,0398 0,698648593474814
50092770 BDB-kin50092789.mol2, BDB-kin50092789.pdbqt 312,91 100,47 -4,031 411,504 1,4363 8 2 0 2,1618 0,703042092659289
These data are only available for scientific research purposes.