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Records 124001 to 124020 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443297 50443297.mol2, BDB-kin50443297.pdbqt 316,66 105,1 -5,379 476,717 3,3653 8 1 0 1,9755 0,475903549386486
50443298 50443298.mol2, BDB-kin50443298.pdbqt 313,5 105,1 -4,987 456,299 3,1032 8 1 0 1,9525 0,53643027830055
50443299 50443299.mol2, BDB-kin50443299.pdbqt 301,24 105,1 -4,643 442,272 2,7593 8 1 0 1,9525 0,590800355647237
50443366 50443366.mol2, BDB-kin50443366.pdbqt 337,96 122,42 -4,745 479,94 2,8591 9 2 0 0,76557 0,291565047274225
50443383 50443383.mol2, BDB-kin50443383.pdbqt 335,09 23,47 -5,002 373,622 7,2051 2 1 1 -16,637 0,187507300630416
50443384 50443384.mol2, BDB-kin50443384.pdbqt 280,05 23,47 -3,922 317,515 5,3875 2 1 1 -16,637 0,291084868551897
50443385 50443385.mol2, BDB-kin50443385.pdbqt 278,38 66,48 -4,075 301,513 4,8795 3 3 0 -20,547 0,314337240351911
50443386 50443386.mol2, BDB-kin50443386.pdbqt 282,22 29,26 -3,998 316,531 5,0816 2 1 1 -13,077 0,30428667763772
50443387 50443387.mol2, BDB-kin50443387.pdbqt 280,05 23,47 -3,922 317,515 5,4794 2 1 1 -12,53 0,286541200724194
50443388 50443388.mol2, BDB-kin50443388.pdbqt 308,22 92,03 -4,338 369,511 4,5118 6 2 0 -12,267 0,306993100124023
50443389 50443389.mol2, BDB-kin50443389.pdbqt 242,24 52,49 -3,064 277,406 2,7651 3 3 0 -8,0404 0,431552916884459
50443443 50443443.mol2, BDB-kin50443443.pdbqt 346,3 138,31 -4,406 448,554 3,2751 9 2 0 5,3032 0,625278002218932
50443444 50443444.mol2, BDB-kin50443444.pdbqt 364,05 155,38 -4,688 476,564 3,3318 10 2 0 4,0598 0,565114765472435
50443445 50443445.mol2, BDB-kin50443445.pdbqt 312,03 120,51 -4,131 410,501 3,3301 8 2 0 4,6922 0,681725946157062
50443446 50443446.mol2, BDB-kin50443446.pdbqt 357,13 163,76 -3,902 484,608 2,6436 10 2 0 -1,9861 0,217548446463783
50443447 50443447.mol2, BDB-kin50443447.pdbqt 341,47 145,96 -4,285 478,572 3,1433 9 2 0 -0,29762 0,260721686525578
50443448 50443448.mol2, BDB-kin50443448.pdbqt 344,57 169,75 -4,4 471,565 2,5342 10 2 0 -5,943 0,188400432740577
50443449 50443449.mol2, BDB-kin50443449.pdbqt 328,61 154,75 -4,209 452,534 2,7895 9 3 0 -2,6253 0,210528624333361
50443450 50443450.mol2, BDB-kin50443450.pdbqt 343,97 178,54 -4,668 459,554 2,5243 10 3 0 -5,5653 0,185377325099812
50443451 50443451.mol2, BDB-kin50443451.pdbqt 294,99 157,28 -5,611 400,486 2,4934 8 2 0 -6,5172 0,172699546134068
These data are only available for scientific research purposes.