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Records 3181 to 3200 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50314349 BDB-kin50314368.mol2, BDB-kin50314368.pdbqt 274,99 76,82 -4,187 377,399 2,0961 7 1 0 2,8167 0,726317116934502
50314350 BDB-kin50314369.mol2, BDB-kin50314369.pdbqt 286,49 76,82 -5,029 403,437 2,4523 7 1 0 3,025 0,618706731555539
50314351 BDB-kin50314370.mol2, BDB-kin50314370.pdbqt 286,49 76,82 -5,029 403,437 2,4523 7 1 0 0,10514 0,483345580015185
50314352 BDB-kin50315047.mol2, BDB-kin50315047.pdbqt 287,55 70,83 -3,689 390,442 2,2055 7 1 0 7,2626 0,775927791111291
50314353 BDB-kin50315048.mol2, BDB-kin50315048.pdbqt 293,9 91,06 -3,393 406,441 1,8598 8 2 0 7,2626 0,787042568879005
50314354 BDB-kin50315049.mol2, BDB-kin50315049.pdbqt 220,74 71,69 -3,738 307,304 2,7994 5 2 0 1,8485 0,752338358981569
50314355 BDB-kin50315050.mol2, BDB-kin50315050.pdbqt 280,5 71,69 -5,824 383,402 4,4586 5 2 0 1,8485 0,447117074005208
50314356 BDB-kin50315051.mol2, BDB-kin50315051.pdbqt 219,5 84,58 -3,788 308,292 2,0814 6 2 0 1,8485 0,767349337686181
50314357 BDB-kin50315052.mol2, BDB-kin50315052.pdbqt 279,26 84,58 -5,874 384,39 3,7406 6 2 0 1,8485 0,482902844498287
50314358 BDB-kin50315053.mol2, BDB-kin50315053.pdbqt 272,91 64,35 -6,17 368,391 4,0863 5 1 0 1,8485 0,45167018939149
50314359 BDB-kin50315054.mol2, BDB-kin50315054.pdbqt 325,48 84,66 -5,813 439,47 3,7916 7 1 0 3,8676 0,479218024702668
50314360 BDB-kin50315055.mol2, BDB-kin50315055.pdbqt 330,06 87,9 -4,341 446,505 2,4733 8 1 0 7,3821 0,660896748584252
50314361 BDB-kin50315056.mol2, BDB-kin50315056.pdbqt 352,5 93,89 -5,88 481,507 3,7606 8 1 0 4,2361 0,443172514176537
50314362 BDB-kin50315057.mol2, BDB-kin50315057.pdbqt 357,08 97,13 -4,408 488,542 2,4423 9 1 0 6,2352 0,607272374474896
50314363 BDB-kin50315058.mol2, BDB-kin50315058.pdbqt 364 93,89 -6,722 507,545 4,1168 8 1 1 4,1022 0,288143754895133
50314364 BDB-kin50315059.mol2, BDB-kin50315059.pdbqt 368,58 97,13 -5,25 514,58 2,7985 9 1 1 6,062 0,39747885975036
50314365 BDB-kin50315060.mol2, BDB-kin50315060.pdbqt 365,06 87,9 -5,382 494,549 3,87 8 1 0 8,6863 0,467769807863222
50314366 BDB-kin50315061.mol2, BDB-kin50315061.pdbqt 369,64 91,14 -3,91 501,585 2,5517 9 1 1 10,417 0,627555659320718
50314367 BDB-kin50315062.mol2, BDB-kin50315062.pdbqt 386,67 108,13 -5,175 524,575 3,3496 9 2 1 9,1997 0,477628757722666
50314368 BDB-kin50315063.mol2, BDB-kin50315063.pdbqt 391,25 111,37 -3,703 531,611 2,0313 10 2 1 10,907 0,612332223737416
These data are only available for scientific research purposes.