Page 
 of 76
Records 61 to 80 of 1515
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50194865 BDB-cJNK50194865.mol2, BDB-cJNK50194865.pdbqt 294,3 146,35 -4,702 387,463 0,4939 8 3 0 -0,23201 0,506334825017331
50059654 BDB-cJNK50059654.mol2, BDB-cJNK50059654.pdbqt 380,86 93,88 -6,172 490,569 3,5006 9 1 0 3,5508 0,152395463393084
50211446 BDB-cJNK50211446.mol2, BDB-cJNK50211446.pdbqt 301,16 85,94 -3,936 398,897 2,0933 7 3 0 5,8859 0,750816416057285
16018 BDB-cJNK16018.mol2, BDB-cJNK16018.pdbqt 160,2 45,75 -4,482 220,231 2,4774 3 1 0 1,371 0,415204702892793
102562 BDB-cJNK102562.mol2, BDB-cJNK102562.pdbqt 384,64 141,07 -5,173 527,648 2,5571 11 3 2 7,95 0,495653945639037
15941 BDB-cJNK15941.mol2, BDB-cJNK15941.pdbqt 309,19 165,31 -5,011 401,378 0,7697 11 2 1 -9,6984 0,328088470429079
100537 BDB-cJNK100537.mol2, BDB-cJNK100537.pdbqt 365,55 136,3 -6,568 529,04 3,2978 8 1 1 4,0063 0,379041908188899
15952 BDB-cJNK15952.mol2, BDB-cJNK15952.pdbqt 328,33 133,37 -3,926 402,497 1,2481 9 3 0 -0,33212 0,539096912446403
102585 BDB-cJNK102585.mol2, BDB-cJNK102585.pdbqt 354,05 110,31 -5,352 459,552 3,2934 9 2 0 -2,7998 0,27911238328287
100540 BDB-cJNK100540.mol2, BDB-cJNK100540.pdbqt 367,69 61,88 -7,332 508,404 4,8823 6 1 1 3,7886 0,303503890498198
50340610 BDB-cJNK50340610.mol2, BDB-cJNK50340610.pdbqt 373,29 90,22 -6,866 497,533 4,0868 9 1 0 2,6067 0,12729089153529
32487 BDB-cJNK32487.mol2, BDB-cJNK32487.pdbqt 279,08 63,94 -4,429 421,29 3,1487 6 1 0 -3,5914 0,202369770108439
100468 BDB-cJNK100468.mol2, BDB-cJNK100468.pdbqt 405,57 85,85 -6,576 544,053 4,4038 8 1 1 5,0123 0,329047112118261
50363465 BDB-cJNK50363465.mol2, BDB-cJNK50363465.pdbqt 317,82 93,68 -5,936 427,501 4,0373 7 3 0 -3,7906 0,240584070738345
50392991 BDB-cJNK50392991.mol2, BDB-cJNK50392991.pdbqt 323,62 102,02 -5,961 448,498 3,0889 7 0 0 2,731 0,477563881480212
50211431 BDB-cJNK50211431.mol2, BDB-cJNK50211431.pdbqt 313,8 109,73 -5,281 407,452 2,532 8 3 0 0,05213 0,455452455253496
29306 BDB-cJNK29306.mol2, BDB-cJNK29306.pdbqt 273,88 155,85 -6,972 382,427 2,19 8 0 0 -3,0927 0,256524628738818
50303637 BDB-cJNK50303637.mol2, BDB-cJNK50303637.pdbqt 310,08 80,99 -4,066 399,457 2,2299 8 1 0 -2,3808 0,144010877734568
50178842 BDB-cJNK50178842.mol2, BDB-cJNK50178842.pdbqt 331,67 87,22 -5,617 433,486 3,7009 7 2 0 3,6466 0,502831360569667
50422608 BDB-cJNK50422608.mol2, BDB-cJNK50422608.pdbqt 295,45 68,4 -5,931 375,427 3,5422 6 2 0 2,9308 0,308551652607619
These data are only available for scientific research purposes.