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Records 1421 to 1440 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50352617 BDB-cJNK50352617.mol2, BDB-cJNK50352617.pdbqt 307,92 119,22 -6,419 498,282 3,0582 7 2 0 -8,0979 0,210761753105747
50338281 BDB-cJNK50338281.mol2, BDB-cJNK50338281.pdbqt 257,56 96,53 -4,439 340,402 3,2296 5 1 0 0,60957 0,585062242158232
50089230 BDB-cJNK50089230.mol2, BDB-cJNK50089230.pdbqt 293,54 99,25 -4,846 372,471 1,725 8 3 0 0,41702 0,551358026335057
50194875 BDB-cJNK50194875.mol2, BDB-cJNK50194875.pdbqt 283,8 146,35 -4,788 385,447 0,258 8 3 0 -0,69783 0,462983242677786
16013 BDB-cJNK16013.mol2, BDB-cJNK16013.pdbqt 255,95 87,14 -5,411 385,22 3,7476 6 3 0 -2,6595 0,297782936005857
100601 BDB-cJNK100601.mol2, BDB-cJNK100601.pdbqt 357,75 94,17 -5,652 472,496 3,682 8 1 0 1,6317 0,436005560461334
50338290 BDB-cJNK50338290.mol2, BDB-cJNK50338290.pdbqt 273,11 119,22 -5,016 367,432 1,9924 7 2 0 4,6521 0,665414983493714
16004 BDB-cJNK16004.mol2, BDB-cJNK16004.pdbqt 260,99 132,96 -5,037 351,321 2,1008 9 3 0 -5,9826 0,337713953840357
50376116 BDB-cJNK50376116.mol2, BDB-cJNK50376116.pdbqt 333 95,16 -4,533 448,909 2,8803 7 2 0 7,2905 0,377772884806248
100533 BDB-cJNK100533.mol2, BDB-cJNK100533.pdbqt 369,58 114,01 -6,981 509,029 4,4904 7 2 1 4,0848 0,332622051488775
104969 BDB-cJNK104969.mol2, BDB-cJNK104969.pdbqt 404,51 104,88 -6,431 526,639 3,2945 9 2 1 4,9613 0,233872213948181
102596 BDB-cJNK102596.mol2, BDB-cJNK102596.pdbqt 388,98 110,31 -5,891 501,633 4,228 9 2 1 -2,3117 0,221444106768924
15995 BDB-cJNK15995.mol2, BDB-cJNK15995.pdbqt 239,49 92,93 -4,653 305,34 2,9654 6 3 0 -0,05259 0,254845210187463
100516 BDB-cJNK100516.mol2, BDB-cJNK100516.pdbqt 359,88 85,77 -6,816 488,974 3,9387 7 2 0 6,2501 0,380361481071313
50196992 BDB-cJNK50196992.mol2, BDB-cJNK50196992.pdbqt 379,78 86,82 -4,028 471,555 2,4495 7 3 0 2,2167 0,501135995514061
15994 BDB-cJNK15994.mol2, BDB-cJNK15994.pdbqt 243,67 107,37 -4,281 322,323 2,6767 7 4 0 -0,86954 0,489996921010567
100449 BDB-cJNK100449.mol2, BDB-cJNK100449.pdbqt 401,81 95,08 -5,687 546,025 3,2398 9 1 1 5,9093 0,421574293302911
15996 BDB-cJNK15996.mol2, BDB-cJNK15996.pdbqt 243,67 87,14 -4,891 324,314 3,1232 6 3 0 -2,2095 0,370505127201342
50358523 BDB-cJNK50358523.mol2, BDB-cJNK50358523.pdbqt 308,19 86,47 -7,111 457,329 4,9707 6 2 0 -10,813 8,14365429887896E-02
100568 BDB-cJNK100568.mol2, BDB-cJNK100568.pdbqt 408,17 105,25 -6,505 554,041 4,6798 9 1 1 -32,289 0,156692236553596
These data are only available for scientific research purposes.