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Records 1341 to 1360 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
100504 BDB-cJNK100504.mol2, BDB-cJNK100504.pdbqt 367,23 106 -5,845 492,961 2,8134 8 3 0 4,7238 0,134643192151361
50402843 BDB-cJNK50402843.mol2, BDB-cJNK50402843.pdbqt 386,92 117,29 -4,982 532,619 3,3841 9 1 1 4,0501 0,287969285396611
50089223 BDB-cJNK50089223.mol2, BDB-cJNK50089223.pdbqt 233,2 78,35 -4,093 302,377 1,5793 6 2 0 -0,2881 0,576152919578726
50211429 BDB-cJNK50211429.mol2, BDB-cJNK50211429.pdbqt 338,08 80,39 -3,837 453,976 3,1402 8 2 0 9,2249 0,671484431272886
100505 BDB-cJNK100505.mol2, BDB-cJNK100505.pdbqt 354,79 65,54 -7,215 472,975 4,7908 6 1 0 2,9694 0,328565940436629
100506 BDB-cJNK100506.mol2, BDB-cJNK100506.pdbqt 345,62 85,77 -6,052 462,936 3,3338 7 2 0 5,505 0,465300077746429
50303638 BDB-cJNK50303638.mol2, BDB-cJNK50303638.pdbqt 291,16 160,9 -5,225 419,485 1,5592 9 3 0 5,0855 0,610940945296821
102595 BDB-cJNK102595.mol2, BDB-cJNK102595.pdbqt 432,71 156,07 -5,477 580,712 2,7566 12 2 2 0,10045 0,320065782894334
16014 BDB-cJNK16014.mol2, BDB-cJNK16014.pdbqt 262,3 107,37 -5,115 401,219 3,4019 7 4 0 -2,6595 0,316903415165413
100507 BDB-cJNK100507.mol2, BDB-cJNK100507.pdbqt 373,64 85,77 -6,868 503 4,1334 7 2 1 3,0394 0,351851700838871
50373204 BDB-cJNK50373204.mol2, BDB-cJNK50373204.pdbqt 326,75 83,91 -5,429 492,324 4,34 6 1 0 -0,61833 0,178406737017925
50340608 BDB-cJNK50340608.mol2, BDB-cJNK50340608.pdbqt 355,7 93,88 -6,107 464,532 3,453 9 1 0 3,8867 0,162838537656177
100532 BDB-cJNK100532.mol2, BDB-cJNK100532.pdbqt 390,31 136,3 -7,072 557,093 3,88 8 1 1 8,6849 0,325436309860474
16012 BDB-cJNK16012.mol2, BDB-cJNK16012.pdbqt 250,02 107,37 -4,595 340,313 2,7775 7 4 0 -2,2095 0,391234199850867
100508 BDB-cJNK100508.mol2, BDB-cJNK100508.pdbqt 368,55 65,54 -7,485 487,001 5,1328 6 1 1 0,46697 0,245327164158939
50352604 BDB-cJNK50352604.mol2, BDB-cJNK50352604.pdbqt 300,23 111,8 -6,556 482,283 4,0816 6 2 0 -9,0588 0,195447740570648
50373193 BDB-cJNK50373193.mol2, BDB-cJNK50373193.pdbqt 360,39 109,36 -5,619 511,981 3,1404 7 1 1 2,9309 0,269508111911857
50089233 BDB-cJNK50089233.mol2, BDB-cJNK50089233.pdbqt 304,54 99,25 -5,224 386,498 2,0843 8 3 0 0,92955 0,542422580683368
104968 BDB-cJNK104968.mol2, BDB-cJNK104968.pdbqt 413,11 147,4 -5,496 556,686 1,4136 11 2 2 2,4654 0,26189405304171
102603 BDB-cJNK102603.mol2, BDB-cJNK102603.pdbqt 443,93 112,05 -5,78 605,805 3,9969 10 1 1 7,7554 0,208089395794525
These data are only available for scientific research purposes.