Page 
 of 76
Records 281 to 300 of 1515
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
16010 BDB-cJNK16010.mol2, BDB-cJNK16010.pdbqt 278,27 107,37 -5,887 372,383 3,8711 7 4 0 -0,86954 0,160588027226701
15934 BDB-cJNK15934.mol2, BDB-cJNK15934.pdbqt 263,26 110,26 -4,533 326,355 1,9317 7 2 0 -4,6733 0,376306690532736
32489 BDB-cJNK32489.mol2, BDB-cJNK32489.pdbqt 266,8 63,94 -4,671 360,384 2,7783 6 1 0 -1,6314 0,241843109728282
102552 BDB-cJNK102552.mol2, BDB-cJNK102552.pdbqt 347,94 112,56 -5,76 469,612 3,1742 9 3 0 4,4167 0,484942144282424
50178825 BDB-cJNK50178825.mol2, BDB-cJNK50178825.pdbqt 325,32 87,22 -5,303 415,496 3,6001 7 2 0 5,7853 0,555651988960458
100538 BDB-cJNK100538.mol2, BDB-cJNK100538.pdbqt 374,68 98,74 -6,778 503,984 4,2656 7 3 1 3,1522 0,34944619063728
100570 BDB-cJNK100570.mol2, BDB-cJNK100570.pdbqt 363,24 96,02 -5,403 495,961 3,3304 8 1 0 4,7029 0,4853190515965
50332082 BDB-cJNK50332082.mol2, BDB-cJNK50332082.pdbqt 242,4 92,6 -4,626 314,364 2,9741 5 1 0 3,2606 0,700172856181963
29285 BDB-cJNK29285.mol2, BDB-cJNK29285.pdbqt 224,21 156,95 -5,756 339,331 1,9499 8 1 0 -2,997 0,316313985770836
50338284 BDB-cJNK50338284.mol2, BDB-cJNK50338284.pdbqt 301,82 111,8 -5,501 389,482 3,4277 6 2 0 3,8271 0,557437245748782
50172921 BDB-cJNK50172921.mol2, BDB-cJNK50172921.pdbqt 374,92 82,28 -5,547 490,005 4,3187 7 3 0 4,485 0,432462602985295
15922 BDB-cJNK15922.mol2, BDB-cJNK15922.pdbqt 277 93,47 -3,825 341,366 1,9529 7 1 0 -4,4148 0,40787971494754
32490 BDB-cJNK32490.mol2, BDB-cJNK32490.pdbqt 282,16 87,73 -4,629 367,404 2,2157 7 1 0 -6,1116 0,127599375318726
100489 BDB-cJNK100489.mol2, BDB-cJNK100489.pdbqt 312,12 90,98 -6,754 429,866 3,4889 7 2 0 4,1443 0,439851653732523
50363456 BDB-cJNK50363456.mol2, BDB-cJNK50363456.pdbqt 311,47 93,68 -5,622 409,511 3,9365 7 3 0 -3,7906 0,262611035335711
50420401 BDB-cJNK50420401.mol2, BDB-cJNK50420401.pdbqt 258,39 129,85 -5,234 324,387 1,9307 7 4 0 -3,5153 0,342968531757658
26058 BDB-cJNK26058.mol2, BDB-cJNK26058.pdbqt 217,86 156,95 -5,442 321,341 1,8491 8 1 0 -1,657 0,374509897920541
29315 BDB-cJNK29315.mol2, BDB-cJNK29315.pdbqt 170,86 192,29 -3,469 261,31 0,7339 7 1 0 -3,8725 0,449154624606383
32458 BDB-cJNK32458.mol2, BDB-cJNK32458.pdbqt 286,41 48,72 -4,257 424,725 3,878 5 1 0 1,4236 0,568595942398164
100631 BDB-cJNK100631.mol2, BDB-cJNK100631.pdbqt 337,19 81,67 -7,438 477,99 4,1156 6 3 0 4,4707 0,215409754097737
These data are only available for scientific research purposes.