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Records 1401 to 1420 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50376121 BDB-cJNK50376121.mol2, BDB-cJNK50376121.pdbqt 344,04 79,9 -6,324 479,983 4,4419 5 0 0 5,985 0,231314031071012
50211444 BDB-cJNK50211444.mol2, BDB-cJNK50211444.pdbqt 318,91 103,01 -4,218 426,907 2,15 8 3 0 6,3956 0,698974111701623
100442 BDB-cJNK100442.mol2, BDB-cJNK100442.pdbqt 351,03 88,33 -6,016 491,333 4,7354 7 1 0 3,865 0,374171921569332
100446 BDB-cJNK100446.mol2, BDB-cJNK100446.pdbqt 380,79 113,69 -5,139 508,537 2,7969 10 1 1 3,9315 0,508315893728651
15998 BDB-cJNK15998.mol2, BDB-cJNK15998.pdbqt 243,67 87,14 -4,891 324,314 3,1232 6 3 0 -2,2095 0,370505127201342
50211443 BDB-cJNK50211443.mol2, BDB-cJNK50211443.pdbqt 301,16 85,94 -4,93 398,897 3,2016 7 3 0 4,3746 0,620225448726136
100513 BDB-cJNK100513.mol2, BDB-cJNK100513.pdbqt 377,6 111,87 -6,373 516,988 3,1704 9 2 1 8,0702 0,405359561812284
100566 BDB-cJNK100566.mol2, BDB-cJNK100566.pdbqt 387,88 114,63 -7,599 528,951 4,591 9 1 1 2,4452 0,29046340251778
102598 BDB-cJNK102598.mol2, BDB-cJNK102598.pdbqt 443,93 112,05 -5,78 605,805 3,9969 10 1 1 8,6116 0,346858377392126
100596 BDB-cJNK100596.mol2, BDB-cJNK100596.pdbqt 389,54 117,28 -6,499 547,492 3,7186 9 2 1 -4,4051 0,108914428306445
100514 BDB-cJNK100514.mol2, BDB-cJNK100514.pdbqt 350,43 83,56 -6,204 462,936 3,5123 7 2 0 3,7125 0,444214502692257
50196993 BDB-cJNK50196993.mol2, BDB-cJNK50196993.pdbqt 255,18 113,92 -3,806 331,762 1,0207 7 2 0 -4,4276 0,417009054497199
50373215 BDB-cJNK50373215.mol2, BDB-cJNK50373215.pdbqt 343,49 89,13 -5,833 526,406 3,8569 6 0 1 1,308 0,218250609664149
50402840 BDB-cJNK50402840.mol2, BDB-cJNK50402840.pdbqt 358,12 108,83 -5,71 471,511 3,4032 8 2 0 1,5829 0,264768935353189
50402839 BDB-cJNK50402839.mol2, BDB-cJNK50402839.pdbqt 382,25 104,4 -5,198 535,594 3,7365 8 1 1 3,1037 0,44044515849514
50402841 BDB-cJNK50402841.mol2, BDB-cJNK50402841.pdbqt 391,32 104,4 -5,62 552,049 4,2417 8 1 1 4,7984 0,380965862643529
50340611 BDB-cJNK50340611.mol2, BDB-cJNK50340611.pdbqt 339,38 122,12 -4,775 456,533 3,0519 9 1 0 4,933 0,212938235022046
100567 BDB-cJNK100567.mol2, BDB-cJNK100567.pdbqt 395,37 116,84 -7,504 544,03 5,3522 7 1 2 3,2987 0,255770108833466
100471 BDB-cJNK100471.mol2, BDB-cJNK100471.pdbqt 351,03 74,77 -6,326 474,947 3,6268 7 1 0 3,7886 0,423383880642761
100515 BDB-cJNK100515.mol2, BDB-cJNK100515.pdbqt 388,35 68,78 -6,446 516,043 4,1589 7 1 1 8,335 0,367044330621954
These data are only available for scientific research purposes.