Page 
 of 76
Records 181 to 200 of 1515
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
15963 BDB-cJNK15963.mol2, BDB-cJNK15963.pdbqt 309,28 128,72 -4,172 386,407 1,3629 9 2 0 -8,3232 0,376000002017617
100525 BDB-cJNK100525.mol2, BDB-cJNK100525.pdbqt 352,49 77,57 -6,19 473,963 3,4833 7 2 0 5,0877 0,441243480727127
100526 BDB-cJNK100526.mol2, BDB-cJNK100526.pdbqt 379,8 108,63 -6,926 515,999 3,386 8 2 1 7,5589 0,375144158098112
32494 BDB-cJNK32494.mol2, BDB-cJNK32494.pdbqt 302,51 63,94 -5,151 380,443 3,4014 6 1 0 -2,9814 0,190345073874979
32470 BDB-cJNK32470.mol2, BDB-cJNK32470.pdbqt 276,61 48,72 -3,95 406,254 2,7248 5 1 0 2,6886 0,704962716740992
100647 BDB-cJNK100647.mol2, BDB-cJNK100647.pdbqt 344,26 71,53 -7,743 469,927 5,1811 6 1 1 0,93049 0,263153356207213
100484 BDB-cJNK100484.mol2, BDB-cJNK100484.pdbqt 385,37 69,72 -7,263 530,41 4,5389 6 1 1 4,3475 0,309096410511795
100485 BDB-cJNK100485.mol2, BDB-cJNK100485.pdbqt 324,01 80,12 -6,417 443,893 3,6217 7 1 0 5,0755 0,445278662265039
50389154 BDB-cJNK50389154.mol2, BDB-cJNK50389154.pdbqt 396,55 114,63 -5,653 539,078 3,1455 9 3 1 2,6511 0,335200790190991
50303640 BDB-cJNK50303640.mol2, BDB-cJNK50303640.pdbqt 322,34 80,99 -4,082 413,484 2,694 8 1 0 3,6548 0,252894662117723
50402826 BDB-cJNK50402826.mol2, BDB-cJNK50402826.pdbqt 292,45 59,08 -4,183 396,417 2,6578 6 0 0 -0,27633 0,514588644397569
29295 BDB-cJNK29295.mol2, BDB-cJNK29295.pdbqt 240,12 166,18 -5,46 351,366 1,7791 9 1 0 -1,6376 0,36701057385841
50194903 BDB-cJNK50194903.mol2, BDB-cJNK50194903.pdbqt 307,06 155,58 -3,945 403,462 -0,3642 9 3 0 -1,0647 0,480599406853129
50364380 BDB-cJNK50364380.mol2, BDB-cJNK50364380.pdbqt 324,9 110,75 -5,658 447,464 3,5351 8 3 0 2,6492 0,485520810477536
50364383 BDB-cJNK50364383.mol2, BDB-cJNK50364383.pdbqt 315,65 87,89 -5,86 428,485 4,4351 7 3 0 -1,3495 0,272582979361915
50358498 BDB-cJNK50358498.mol2, BDB-cJNK50358498.pdbqt 297,53 84,95 -7,07 393,833 3,885 7 2 0 1,5736 0,396839282740869
15933 BDB-cJNK15933.mol2, BDB-cJNK15933.pdbqt 263,26 110,26 -4,533 326,355 1,9317 7 2 0 -4,6733 0,376306690532736
100527 BDB-cJNK100527.mol2, BDB-cJNK100527.pdbqt 346,12 85,77 -6,546 474,947 3,5967 7 2 0 5,8455 0,416544626649371
100620 BDB-cJNK100620.mol2, BDB-cJNK100620.pdbqt 352,57 55,89 -6,554 472,975 4,7326 6 1 0 7,5069 0,363349273880956
100544 BDB-cJNK100544.mol2, BDB-cJNK100544.pdbqt 287,93 67,23 -5,152 394,38 2,2652 6 1 0 5,7143 0,629865210523254
These data are only available for scientific research purposes.