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Records 1061 to 1080 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50134609 BDB-cJNK50134609.mol2, BDB-cJNK50134609.pdbqt 296,04 121,9 -4,795 425,415 1,1273 9 2 0 4,8931 0,653855758567947
50134598 BDB-cJNK50134598.mol2, BDB-cJNK50134598.pdbqt 331,9 73,83 -3,518 444,484 1,9899 8 1 0 9,313 0,73573878796184
50338269 BDB-cJNK50338269.mol2, BDB-cJNK50338269.pdbqt 260,22 92,87 -3,805 333,407 3,3817 5 1 0 0,8016 0,644307222449992
50134607 BDB-cJNK50134607.mol2, BDB-cJNK50134607.pdbqt 288,4 67,35 -6,404 405,284 3,9814 6 1 0 0,88562 0,311618836602944
50343674 BDB-cJNK50343674.mol2, BDB-cJNK50343674.pdbqt 299,38 107,63 -2,34 402,521 1,0106 8 3 0 4,1616 0,83850245407513
50358531 BDB-cJNK50358531.mol2, BDB-cJNK50358531.pdbqt 288,05 77,68 -6,542 383,834 2,5844 6 1 0 1,3394 0,218510002243217
32485 BDB-cJNK32485.mol2, BDB-cJNK32485.pdbqt 275,61 61,36 -2,258 357,844 2,193 6 1 0 3,8164 0,860352778632362
32486 BDB-cJNK32486.mol2, BDB-cJNK32486.pdbqt 298,56 72,26 -3,98 381,866 2,7554 6 1 0 -0,46362 0,516598308123322
32467 BDB-cJNK32467.mol2, BDB-cJNK32467.pdbqt 295,32 65,79 -4,77 480,667 3,7438 6 1 0 -22,547 0,269621950142757
32471 BDB-cJNK32471.mol2, BDB-cJNK32471.pdbqt 289,62 48,72 -4,355 469,176 3,9972 5 1 0 1,4002 0,513989453212455
50134631 BDB-cJNK50134631.mol2, BDB-cJNK50134631.pdbqt 307,35 78,79 -5,685 435,31 3,2963 7 1 0 3,0725 0,406083240354205
50134616 BDB-cJNK50134616.mol2, BDB-cJNK50134616.pdbqt 261,69 78,79 -4,519 374,346 1,7492 7 1 0 4,865 0,71919174153762
50134615 BDB-cJNK50134615.mol2, BDB-cJNK50134615.pdbqt 359,72 70,59 -7,61 496,397 5,4841 7 1 1 2,9135 0,078206139498876
50134614 BDB-cJNK50134614.mol2, BDB-cJNK50134614.pdbqt 293,59 78,79 -5,633 421,283 3,1016 7 1 0 6,2822 0,43273066705111
50342375 BDB-cJNK50342375.mol2, BDB-cJNK50342375.pdbqt 229,95 100,43 -4,802 350,267 2,3705 4 2 0 1,9961 0,653785836005799
50342376 BDB-cJNK50342376.mol2, BDB-cJNK50342376.pdbqt 257,96 100,43 -5,318 336,414 3,5257 4 2 0 3,3361 0,594332342739216
50342377 BDB-cJNK50342377.mol2, BDB-cJNK50342377.pdbqt 200,28 112,9 -1,287 269,324 -0,3129 6 2 0 4,642 0,951987681886296
50332078 BDB-cJNK50332078.mol2, BDB-cJNK50332078.pdbqt 246,26 96,11 -3,94 332,379 2,3917 6 1 0 0,67521 0,315963125378735
50334009 BDB-cJNK50334009.mol2, BDB-cJNK50334009.pdbqt 215,36 57,59 -5,066 288,309 2,9651 5 1 0 3,406 0,318017604242487
50333985 BDB-cJNK50333985.mol2, BDB-cJNK50333985.pdbqt 280,86 69,62 -6,955 371,443 4,1772 6 2 0 1,2756 0,185712919732427
These data are only available for scientific research purposes.