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Records 123641 to 123660 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50441142 50441142.mol2, BDB-kin50441142.pdbqt 249,14 75,28 -5,102 331,826 4,5178 4 1 0 0,83858 0,171649061404498
50441143 50441143.mol2, BDB-kin50441143.pdbqt 245,98 75,28 -4,71 311,408 4,2557 4 1 0 0,75027 0,189929734064137
50441144 50441144.mol2, BDB-kin50441144.pdbqt 290,87 75,28 -5,789 418,358 5,7253 4 1 1 -0,15074 0,274742264948415
50441145 50441145.mol2, BDB-kin50441145.pdbqt 277,11 75,28 -5,727 404,331 5,4801 4 1 1 -0,36815 0,283900190970362
50441146 50441146.mol2, BDB-kin50441146.pdbqt 266,11 75,28 -5,359 390,304 5,0526 4 1 1 0,1445 0,360290578239743
50441147 50441147.mol2, BDB-kin50441147.pdbqt 252,35 75,28 -5,2 376,277 4,637 4 1 0 -1,0397 0,118758129431007
50441148 50441148.mol2, BDB-kin50441148.pdbqt 267,08 88,17 -5,072 348,429 4,2278 5 1 0 0,75027 0,175428154047061
50441149 50441149.mol2, BDB-kin50441149.pdbqt 240,07 95,51 -4,07 313,38 3,5661 5 2 0 0,78741 0,224307947437665
50441150 50441150.mol2, BDB-kin50441150.pdbqt 232,48 88,17 -3,571 298,369 2,9109 5 1 0 0,75027 0,247476938716917
50441151 50441151.mol2, BDB-kin50441151.pdbqt 232,48 88,17 -3,595 298,369 2,9649 5 1 0 0,75027 0,246254212844336
50441152 50441152.mol2, BDB-kin50441152.pdbqt 233,72 75,28 -4,366 297,381 3,9118 4 1 0 0,75027 0,209576261315384
50441153 50441153.mol2, BDB-kin50441153.pdbqt 255,98 84,51 -4,384 327,407 3,8418 5 1 0 0,86 0,210082497799667
50441154 50441154.mol2, BDB-kin50441154.pdbqt 351,21 118,4 -5,088 451,618 4,9605 6 1 0 4,3393 0,454868487552981
50441155 50441155.mol2, BDB-kin50441155.pdbqt 326,45 118,4 -4,561 423,564 4,1174 6 1 0 3,8823 0,209679212680044
50441156 50441156.mol2, BDB-kin50441156.pdbqt 323,49 113,47 -6,024 420,56 4,9263 5 1 0 0,87482 0,126851933011546
50441293 50441293.mol2, BDB-kin50441293.pdbqt 220,37 57,53 -3,926 306,444 2,7486 3 2 0 1,0776 0,693205738377081
50441294 50441294.mol2, BDB-kin50441294.pdbqt 219,27 54,37 -3,977 304,428 2,8923 3 1 0 -4,4523 0,238192155554153
50441295 50441295.mol2, BDB-kin50441295.pdbqt 223,53 74,6 -3,527 320,427 2,0689 4 2 0 1,4197 0,453793732261979
50441296 50441296.mol2, BDB-kin50441296.pdbqt 292,77 97,99 -6,303 439,23 1,1301 5 4 0 -6,9001 0,251712758476539
50441297 50441297.mol2, BDB-kin50441297.pdbqt 292,77 97,99 -6,303 439,23 1,1301 5 4 0 -6,9001 0,251712758476539
These data are only available for scientific research purposes.