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Records 701 to 720 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50363449 BDB-cJNK50363449.mol2, BDB-cJNK50363449.pdbqt 324,78 76,89 -6,221 436,465 5,5449 7 2 1 -1,9289 0,159051229700825
50342309 BDB-cJNK50342309.mol2, BDB-cJNK50342309.pdbqt 225,98 100,43 -4,054 300,381 2,6813 4 2 0 0,40605 0,629906584371185
50342310 BDB-cJNK50342310.mol2, BDB-cJNK50342310.pdbqt 273,85 174,21 -3,706 388,495 2,7674 6 2 0 5,5936 0,759537617880974
50342311 BDB-cJNK50342311.mol2, BDB-cJNK50342311.pdbqt 230,41 145,97 -2,461 320,396 1,4198 6 2 0 5,8669 0,899738953547236
27815 BDB-cJNK27815.mol2, BDB-cJNK27815.pdbqt 427,46 141,5 -7,371 572,643 4,1775 11 4 2 1,451 0,129352813954546
15970 BDB-cJNK15970.mol2, BDB-cJNK15970.pdbqt 249,5 110,26 -3,708 312,328 1,174 7 2 0 -3,2831 0,435558870850115
15986 BDB-cJNK15986.mol2, BDB-cJNK15986.pdbqt 231,1 87,14 -3,899 286,334 2,4541 6 3 0 -1,5956 0,475186655479099
50334004 BDB-cJNK50334004.mol2, BDB-cJNK50334004.pdbqt 299,38 104,87 -6,412 402,457 2,6779 8 3 0 0,27662 0,142210067140349
50332055 BDB-cJNK50332055.mol2, BDB-cJNK50332055.pdbqt 198,2 100,43 -3,192 260,316 1,7591 4 2 0 3,8096 0,878111351369615
50363461 BDB-cJNK50363461.mol2, BDB-cJNK50363461.pdbqt 339,45 102,91 -5,854 447,516 4,5362 8 3 0 -2,1075 0,191927090956107
50342312 BDB-cJNK50342312.mol2, BDB-cJNK50342312.pdbqt 213,62 100,43 -3,968 294,761 2,4725 4 2 0 3,3974 0,79068661403312
50342313 BDB-cJNK50342313.mol2, BDB-cJNK50342313.pdbqt 220,46 109,66 -3,25 290,342 1,7965 5 2 0 3,3977 0,859826425430642
50032754 BDB-cJNK50032754.mol2, BDB-cJNK50032754.pdbqt 326,02 105,87 -4,919 435,874 2,137 9 3 0 5,5233 0,497025422552449
15888 BDB-cJNK15888.mol2, BDB-cJNK15888.pdbqt 206,58 58,36 -5,846 291,737 2,7753 5 1 0 3,3499 0,28073567731464
50032799 BDB-cJNK50032799.mol2, BDB-cJNK50032799.pdbqt 336,82 100,94 -5,2 446,897 3,1203 8 3 0 4,6748 0,445917003561114
29289 BDB-cJNK29289.mol2, BDB-cJNK29289.pdbqt 252,46 156,95 -7,048 371,4 3,0435 8 1 0 -1,657 9,95321121393294E-02
15945 BDB-cJNK15945.mol2, BDB-cJNK15945.pdbqt 243,58 104,27 -3,103 291,354 0,6659 7 2 0 0,21162 0,416260414500131
100618 BDB-cJNK100618.mol2, BDB-cJNK100618.pdbqt 328,82 80,52 -7,399 427,894 4,391 6 2 0 1,3705 0,341631493918205
15879 BDB-cJNK15879.mol2, BDB-cJNK15879.pdbqt 211,49 47,36 -5,623 291,737 2,5418 5 0 0 2,8872 0,139831909681396
50102618 BDB-cJNK50102618.mol2, BDB-cJNK50102618.pdbqt 213,77 70,92 -3,001 267,287 1,403 5 2 0 4,6759 0,896865503614909
These data are only available for scientific research purposes.