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Records 1321 to 1340 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
100581 BDB-cJNK100581.mol2, BDB-cJNK100581.pdbqt 350,42 75,71 -7,402 499,324 5,1348 6 1 1 0,3522 0,236619649150938
100561 BDB-cJNK100561.mol2, BDB-cJNK100561.pdbqt 328,87 93,53 -5,119 450,881 2,4903 8 1 0 4,9011 0,579154683254984
50338266 BDB-cJNK50338266.mol2, BDB-cJNK50338266.pdbqt 267,56 111,8 -5,68 369,835 3,1141 6 2 0 3,5924 0,562392786400085
50211426 BDB-cJNK50211426.mol2, BDB-cJNK50211426.pdbqt 301,16 85,94 -3,936 398,897 2,0933 7 3 0 4,3545 0,747088997755442
50338289 BDB-cJNK50338289.mol2, BDB-cJNK50338289.pdbqt 285,37 119,22 -4,644 381,459 2,2258 7 2 0 4,8944 0,693267137963354
50211438 BDB-cJNK50211438.mol2, BDB-cJNK50211438.pdbqt 298,5 77,15 -4,268 398,897 3,0618 7 2 0 4,0878 0,689259409441136
50211430 BDB-cJNK50211430.mol2, BDB-cJNK50211430.pdbqt 340,28 77,15 -5,384 452,988 4,4641 7 2 0 5,103 0,467623676255672
102605 BDB-cJNK102605.mol2, BDB-cJNK102605.pdbqt 441,07 126,63 -4,383 602,762 3,4836 11 1 2 6,1511 0,459454967411555
102601 BDB-cJNK102601.mol2, BDB-cJNK102601.pdbqt 457,69 112,05 -6,05 619,832 4,3389 10 1 1 4,858 0,186076555651982
100531 BDB-cJNK100531.mol2, BDB-cJNK100531.pdbqt 350,73 93,78 -7,328 479,003 5,1478 6 1 1 3,9949 0,308368988322528
100563 BDB-cJNK100563.mol2, BDB-cJNK100563.pdbqt 390,49 88,18 -6,455 531,994 4,097 8 1 1 1,8053 0,332279472459843
50303639 BDB-cJNK50303639.mol2, BDB-cJNK50303639.pdbqt 300,54 123,07 -5,05 407,457 1,6096 9 2 0 -2,5741 0,123549687685826
50352601 BDB-cJNK50352601.mol2, BDB-cJNK50352601.pdbqt 277,12 111,8 -6,197 432,276 3,2116 6 2 0 -3,2088 0,251400029846783
50422605 BDB-cJNK50422605.mol2, BDB-cJNK50422605.pdbqt 294,21 81,29 -5,661 376,415 2,8927 7 2 0 2,6727 0,556719963506192
100564 BDB-cJNK100564.mol2, BDB-cJNK100564.pdbqt 381,87 129,73 -8,096 530,991 5,2571 8 1 2 -2,2475 0,144451560377013
100582 BDB-cJNK100582.mol2, BDB-cJNK100582.pdbqt 344,07 75,71 -7,088 481,334 5,034 6 1 1 1,6922 0,297000633419678
100503 BDB-cJNK100503.mol2, BDB-cJNK100503.pdbqt 387,4 85,77 -7,138 517,027 4,5878 7 2 1 4,3341 0,318630777380876
50352602 BDB-cJNK50352602.mol2, BDB-cJNK50352602.pdbqt 277,12 111,8 -6,092 432,276 3,3341 6 2 0 -3,2088 0,253165252607923
100592 BDB-cJNK100592.mol2, BDB-cJNK100592.pdbqt 402,05 113,96 -5,981 567,523 3,0943 10 1 1 -5,4393 0,117259097980178
100470 BDB-cJNK100470.mol2, BDB-cJNK100470.pdbqt 290,65 67,23 -5,26 392,845 2,6696 6 1 0 7,0744 0,611352164970157
These data are only available for scientific research purposes.