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Records 1481 to 1500 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50089235 BDB-cJNK50089235.mol2, BDB-cJNK50089235.pdbqt 293,08 87,22 -4,797 371,483 2,2624 7 2 0 0,31279 0,54070334164386
50332091 BDB-cJNK50332091.mol2, BDB-cJNK50332091.pdbqt 258,51 124,25 -3,51 352,441 2,5841 5 1 0 1,8986 0,452937990124604
104971 BDB-cJNK104971.mol2, BDB-cJNK104971.pdbqt 369,84 90,64 -6,672 471,559 3,6276 8 1 0 -1,6046 0,240697717515646
100518 BDB-cJNK100518.mol2, BDB-cJNK100518.pdbqt 364,69 83,56 -6,968 488,974 3,9965 7 2 0 0,3 0,293270381208978
100569 BDB-cJNK100569.mol2, BDB-cJNK100569.pdbqt 386,15 119,31 -6,953 528,955 4,2447 10 1 1 -1,7524 0,191612277670035
15458 BDB-cJNK15458.mol2, BDB-cJNK15458.pdbqt 272,37 64,86 -2,732 353,4 2,9174 6 1 0 1,1422 0,733272177672201
50105742 BDB-cJNK50105742.mol2, BDB-cJNK50105742.pdbqt 279,76 73,06 -3,358 368,411 3,3728 6 1 0 0,27122 0,604519783326959
50402832 BDB-cJNK50402832.mol2, BDB-cJNK50402832.pdbqt 389,64 112,6 -5,824 550,605 4,1919 8 1 1 3,5487 0,368043836461363
50340599 BDB-cJNK50340599.mol2, BDB-cJNK50340599.pdbqt 344,9 98,81 -5,301 453,509 2,1183 10 1 0 5,3667 0,20381566117371
50340612 BDB-cJNK50340612.mol2, BDB-cJNK50340612.pdbqt 344,68 80,99 -6,534 449,517 4,056 8 1 0 3,966 0,148688168334505
50196997 BDB-cJNK50196997.mol2, BDB-cJNK50196997.pdbqt 323,48 137,31 -5,597 420,492 2,1186 7 2 0 -4,5015 0,28703382316962
50364377 BDB-cJNK50364377.mol2, BDB-cJNK50364377.pdbqt 353,36 105,99 -5,311 489,5 3,1707 9 3 0 -0,02 0,379050029833061
100463 BDB-cJNK100463.mol2, BDB-cJNK100463.pdbqt 438,18 106,08 -6,499 588,106 4,2008 9 2 1 6,3634 0,313923130167743
100546 BDB-cJNK100546.mol2, BDB-cJNK100546.pdbqt 370,92 85,77 -6,76 504,535 3,729 7 2 1 1,6612 0,349183856322801
100539 BDB-cJNK100539.mol2, BDB-cJNK100539.pdbqt 414,7 98,74 -8,434 582,098 5,2692 7 3 2 4,72 0,233921238559838
50402827 BDB-cJNK50402827.mol2, BDB-cJNK50402827.pdbqt 322,03 92,37 -4,546 458,509 2,212 7 0 0 2,826 0,370077131745386
50358509 BDB-cJNK50358509.mol2, BDB-cJNK50358509.pdbqt 327,25 90,13 -7,379 450,419 4,53 6 2 0 -7,2729 8,65123743167974E-02
50194873 BDB-cJNK50194873.mol2, BDB-cJNK50194873.pdbqt 304,91 166,58 -4,087 403,462 -0,3377 9 4 0 -2,8333 0,397222908927372
100475 BDB-cJNK100475.mol2, BDB-cJNK100475.pdbqt 311,45 71,53 -6,241 419,867 3,8878 6 1 0 3,6965 0,45662472287504
50303641 BDB-cJNK50303641.mol2, BDB-cJNK50303641.pdbqt 344,05 104,78 -4,855 438,494 2,5296 9 1 0 -0,62516 0,150209635241048
These data are only available for scientific research purposes.