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Records 1221 to 1240 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
31340 BDB-cJNK31340.mol2, BDB-cJNK31340.pdbqt 375,13 98,26 -6,726 469,543 4,1071 8 2 0 1,4469 0,212359390380081
13216 BDB-cJNK13216.mol2, BDB-cJNK13216.pdbqt 361,62 134,75 -4,701 488,014 3,6259 9 3 0 8,0376 0,195597519307076
31090 BDB-cJNK31090.mol2, BDB-cJNK31090.pdbqt 361,63 90,28 -5,818 467,931 4,0385 7 2 0 -5,2565 0,135346225484592
5446 BDB-cJNK5446.mol2, BDB-cJNK5446.pdbqt 319,97 74,73 -3,527 393,442 3,0713 7 1 0 -5,9718 0,379340480582395
5655 BDB-cJNK5655.mol2, BDB-cJNK5655.pdbqt 281,79 90,23 -3,869 401,845 3,5175 6 3 0 6,5998 0,702500954226063
5447 BDB-cJNK5447.mol2, BDB-cJNK5447.pdbqt 333,75 68,74 -5,062 446,909 3,9851 7 1 0 0,47937 0,430463988038668
32362 BDB-cJNK32362.mol2, BDB-cJNK32362.pdbqt 289,38 105,51 -4,648 366,42 2,4867 7 2 0 -1,8568 0,397177104871468
26474 BDB-cJNK26474.mol2, BDB-cJNK26474.pdbqt 320,76 127,41 -5,921 437,527 1,7881 9 2 0 3,5212 0,187659322787565
13530 BDB-cJNK13530.mol2, BDB-cJNK13530.pdbqt 389,91 86,28 -4,383 493,613 3,9383 8 2 0 8,6128 0,54592710101005
6866 BDB-cJNK6866.mol2, BDB-cJNK6866.pdbqt 267,03 154,37 -5,975 394,361 1,9098 9 3 0 2,904 0,324146157968434
5445 BDB-cJNK5445.mol2, BDB-cJNK5445.pdbqt 424,92 114,73 -8,061 581,066 4,7281 8 2 1 -4,2297 0,132306510791156
17055 BDB-cJNK17055.mol2, BDB-cJNK17055.pdbqt 349,62 68,5 -2,129 468,555 1,399 7 1 0 7,4096 0,764732818039782
13535 BDB-cJNK13535.mol2, BDB-cJNK13535.pdbqt 442,65 92,29 -5,592 562,712 4,8803 10 1 1 4,2568 0,340019525754712
31093 BDB-cJNK31093.mol2, BDB-cJNK31093.pdbqt 336,97 87,47 -8,009 476,869 5,0379 6 2 1 -0,73746 0,202547977250846
25045 BDB-cJNK25045.mol2, BDB-cJNK25045.pdbqt 256,38 84,51 -5,694 348,361 2,5871 7 1 0 1,1336 0,522211314899923
4851 BDB-cJNK4851.mol2, BDB-cJNK4851.pdbqt 264,3 50,7 -5,755 346,82 4,381 4 1 0 -0,92861 0,325307737516418
7533 BDB-cJNK7533.mol2, BDB-cJNK7533.pdbqt 285,43 87,89 -3,931 354,456 2,5814 7 3 0 3,3898 0,457085061112196
13531 BDB-cJNK13531.mol2, BDB-cJNK13531.pdbqt 252,33 61,8 -5,355 331,349 3,7174 4 2 0 -0,54773 0,404930875031401
50242742 BDB-cJNK50242742.mol2, BDB-cJNK50242742.pdbqt 455,24 111,31 -5,955 614,213 4,599 10 2 1 3,8491 0,116708888789735
31095 BDB-cJNK31095.mol2, BDB-cJNK31095.pdbqt 331,3 106,69 -2,809 442,489 0,425 8 4 0 4,7422 0,783677383104847
These data are only available for scientific research purposes.