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Records 124901 to 124920 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447372 50447372.mol2, BDB-kin50447372.pdbqt 327,56 70,59 -3,566 413,48 3,1899 7 1 0 3,7096 0,721633218561659
50447373 50447373.mol2, BDB-kin50447373.pdbqt 367,14 73,83 -3,135 468,559 3,2683 8 1 0 7,6614 0,687150317229437
50447374 50447374.mol2, BDB-kin50447374.pdbqt 358,34 70,59 -4,522 453,544 4,3229 7 1 0 1,322 0,492111318903806
50447375 50447375.mol2, BDB-kin50447375.pdbqt 355,08 70,59 -4,166 441,533 4,0025 7 1 0 4,3506 0,365212791162458
50447376 50447376.mol2, BDB-kin50447376.pdbqt 369,34 70,59 -4,9 467,571 4,6476 7 1 0 1,6027 0,353947287328847
50447377 50447377.mol2, BDB-kin50447377.pdbqt 369,34 70,59 -4,682 467,571 4,5922 7 1 0 4,5185 0,501446252546808
50447378 50447378.mol2, BDB-kin50447378.pdbqt 344,58 70,59 -4,252 439,518 3,9809 7 1 0 2,9259 0,593846039677392
50447379 50447379.mol2, BDB-kin50447379.pdbqt 354,58 79,82 -3,633 455,517 3,1589 8 1 0 1,6148 0,625658132552929
50447380 50447380.mol2, BDB-kin50447380.pdbqt 341,32 70,59 -3,836 427,507 3,5319 7 1 0 3,1817 0,667090782046885
50447381 50447381.mol2, BDB-kin50447381.pdbqt 368,84 70,59 -4,436 455,56 4,3445 7 1 0 3,8296 0,328452741408213
50447382 50447382.mol2, BDB-kin50447382.pdbqt 358,34 70,59 -4,522 453,544 4,3229 7 1 0 2,2214 0,523087157377019
50447383 50447383.mol2, BDB-kin50447383.pdbqt 372,1 70,59 -4,792 467,571 4,6649 7 1 0 0,60824 0,403729159977653
50447384 50447384.mol2, BDB-kin50447384.pdbqt 383,1 70,59 -5,17 481,598 4,9896 7 1 0 0,95392 0,293215255265195
50447385 50447385.mol2, BDB-kin50447385.pdbqt 383,1 70,59 -4,952 481,598 4,9342 7 1 0 3,8551 0,441049782948981
50447386 50447386.mol2, BDB-kin50447386.pdbqt 380,9 73,83 -3,405 482,586 3,6103 8 1 0 7,1393 0,639457966261159
50447387 50447387.mol2, BDB-kin50447387.pdbqt 368,34 79,82 -3,903 469,543 3,5009 8 1 0 1,6053 0,579302834227714
50447511 50447511.mol2, BDB-kin50447511.pdbqt 343,77 102,15 -5,577 476,967 3,2434 8 4 0 6,1545 0,493426211758856
50447512 50447512.mol2, BDB-kin50447512.pdbqt 331,41 88,39 -4,939 429,526 2,6714 8 1 0 1,4793 0,200949651051723
50447513 50447513.mol2, BDB-kin50447513.pdbqt 172,21 70,14 -4,455 226,302 2,3167 2 2 0 -0,84083 0,181798103706723
50447632 50447632.mol2, BDB-kin50447632.pdbqt 366,68 135,89 -5,904 505,597 2,425 9 2 1 -5,6142 0,231226317645829
These data are only available for scientific research purposes.