Page 
 of 76
Records 141 to 160 of 1515
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
100482 BDB-cJNK100482.mol2, BDB-cJNK100482.pdbqt 319,73 90,54 -6,72 445,929 4,5617 5 1 0 4,0462 0,38025022005889
50373219 BDB-cJNK50373219.mol2, BDB-cJNK50373219.pdbqt 342,66 72,91 -5,557 506,351 4,7679 6 0 1 -0,57136 0,160620367820843
50194859 BDB-cJNK50194859.mol2, BDB-cJNK50194859.pdbqt 322,53 201,47 -4,354 431,476 -1,4042 11 5 1 0,095011 0,534130986136241
50194874 BDB-cJNK50194874.mol2, BDB-cJNK50194874.pdbqt 291,15 166,58 -3,817 389,435 -0,7921 9 4 0 -1,1183 0,491669100590873
16000 BDB-cJNK16000.mol2, BDB-cJNK16000.pdbqt 255,93 87,14 -5,235 338,341 3,4671 6 3 0 -2,2371 0,33743961951255
102553 BDB-cJNK102553.mol2, BDB-cJNK102553.pdbqt 304,29 66,21 -6,039 391,517 4,5913 6 2 0 1,893 0,421299059642218
50338279 BDB-cJNK50338279.mol2, BDB-cJNK50338279.pdbqt 256,32 109,42 -3,434 341,39 2,4737 6 1 0 0,60957 0,406713033310386
29283 BDB-cJNK29283.mol2, BDB-cJNK29283.pdbqt 265,05 156,95 -6,602 377,448 3,431 8 1 0 -4,7782 0,24386231996354
50373199 BDB-cJNK50373199.mol2, BDB-cJNK50373199.pdbqt 284,02 46,61 -4,582 369,419 4,1297 4 0 0 1,2186 0,331804688017683
50194904 BDB-cJNK50194904.mol2, BDB-cJNK50194904.pdbqt 311,32 146,35 -5,328 413,501 0,942 8 3 0 -3,432 0,31525232101803
50303643 BDB-cJNK50303643.mol2, BDB-cJNK50303643.pdbqt 368,6 93,88 -5,804 476,543 3,1027 9 1 0 3,6243 0,170667765374022
100464 BDB-cJNK100464.mol2, BDB-cJNK100464.pdbqt 420,36 134,32 -6,342 580,107 4,1034 9 2 1 6,0363 0,32906834743804
50303646 BDB-cJNK50303646.mol2, BDB-cJNK50303646.pdbqt 378,27 93,46 -5,142 502,552 2,5999 10 1 1 2,626 0,182165663849913
50373208 BDB-cJNK50373208.mol2, BDB-cJNK50373208.pdbqt 324,91 55,84 -5,434 478,341 4,7849 5 0 0 -0,57136 0,172825170522798
50358519 BDB-cJNK50358519.mol2, BDB-cJNK50358519.pdbqt 275,08 77,24 -6,402 391,323 3,9725 5 2 0 -7,2729 0,111523120864333
50358521 BDB-cJNK50358521.mol2, BDB-cJNK50358521.pdbqt 318,51 86,47 -6,676 431,413 4,6624 6 2 0 -7,7118 9,32547012600383E-02
50340607 BDB-cJNK50340607.mol2, BDB-cJNK50340607.pdbqt 341,58 99,23 -5,969 445,489 2,8129 9 1 0 4,7593 0,179892882742174
50422612 BDB-cJNK50422612.mol2, BDB-cJNK50422612.pdbqt 289,03 69,68 -5,007 364,4 3,1226 6 1 0 1,3014 0,573326245954207
29314 BDB-cJNK29314.mol2, BDB-cJNK29314.pdbqt 258,82 261,48 -4,286 404,496 2,1232 8 2 0 2,8985 0,696591863894772
100524 BDB-cJNK100524.mol2, BDB-cJNK100524.pdbqt 341,03 65,54 -6,945 458,948 4,4488 6 1 0 4,4606 0,370411546789116
These data are only available for scientific research purposes.