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Records 1281 to 1300 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50132260 BDB-cJNK50132260.mol2, BDB-cJNK50132260.pdbqt 278,37 50,36 -6,682 478,659 4,3331 4 2 0 0,6605 0,186943884170261
50110208 BDB-cJNK50110208.mol2, BDB-cJNK50110208.pdbqt 286,16 103,12 -5,829 384,394 3,252 7 2 0 1,3792 0,48863968347219
29279 BDB-cJNK29279.mol2, BDB-cJNK29279.pdbqt 193,27 70 -4,665 249,337 3,1547 4 1 0 1,0311 0,625489744586925
29280 BDB-cJNK29280.mol2, BDB-cJNK29280.pdbqt 165,75 70 -4,125 221,283 2,2459 4 1 0 3,356 0,799568871005974
29281 BDB-cJNK29281.mol2, BDB-cJNK29281.pdbqt 247,27 88,46 -5,656 341,39 3,2119 6 1 0 -3,6493 0,298560029414478
29282 BDB-cJNK29282.mol2, BDB-cJNK29282.pdbqt 219,1 144,06 -5,757 320,353 2,5134 7 1 0 -1,5318 0,354142595300946
31094 BDB-cJNK31094.mol2, BDB-cJNK31094.pdbqt 398,79 77,73 -7,859 570,647 6,2066 8 1 2 5,4432 0,210294044396854
31096 BDB-cJNK31096.mol2, BDB-cJNK31096.pdbqt 322,44 69,45 -6,769 466,539 4,4396 7 2 0 4,7259 0,373119598622656
50024294 BDB-cJNK50024294.mol2, BDB-cJNK50024294.pdbqt 158,33 44,95 -5,938 220,231 3,4727 3 1 0 -5,8744 6,21320890387829E-02
50326053 BDB-cJNK50326053.mol2, BDB-cJNK50326053.pdbqt 398,79 77,73 -7,859 570,647 6,2066 8 1 2 5,4432 0,210294044396854
50308060 BDB-cJNK50308060.mol2, BDB-cJNK50308060.pdbqt 288,33 88,65 -6,38 439,47 3,9394 7 3 0 0,40422 0,350324879011418
50026612 BDB-cJNK50026612.mol2, BDB-cJNK50026612.pdbqt 411,35 94,22 -3,552 539,634 2,461 9 2 1 7,9531 7,81267586187777E-02
50059657 BDB-cJNK50059657.mol2, BDB-cJNK50059657.pdbqt 251,81 77,58 -5,751 341,325 4,2724 6 0 0 -1,9439 0,174498957981638
50059656 BDB-cJNK50059656.mol2, BDB-cJNK50059656.pdbqt 180,96 58,37 -4,613 247,256 3,3799 4 1 0 -1,4875 0,254056000396932
50059655 BDB-cJNK50059655.mol2, BDB-cJNK50059655.pdbqt 306,64 82,9 -6,105 411,416 4,9437 7 0 0 -2,4857 0,079863546663028
50314150 BDB-cJNK50314150.mol2, BDB-cJNK50314150.pdbqt 1032,4 575,11 -5,801 1342,61 -9,8324 34 18 3 -9,9097 0,16374120883329
50300690 BDB-cJNK50300690.mol2, BDB-cJNK50300690.pdbqt 423 134,4 -5,721 560,677 4,7979 10 2 1 1,8174 0,253696864349079
50326054 BDB-cJNK50326054.mol2, BDB-cJNK50326054.pdbqt 403,88 97,96 -7,54 586,646 5,9812 9 2 2 5,7659 0,214963892063874
50341342 BDB-cJNK50341342.mol2, BDB-cJNK50341342.pdbqt 280,26 76,58 -4,941 388,373 2,149 7 1 0 -1,3646 0,397286343031577
50341346 BDB-cJNK50341346.mol2, BDB-cJNK50341346.pdbqt 295,58 109,87 -4,752 424,427 1,1994 8 1 0 1,1639 0,582558474445397
These data are only available for scientific research purposes.