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Records 641 to 660 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116120 BDB-kin125256.mol2, BDB-kin125256.pdbqt 346,78 97,03 -4,222 458,952 3,6197 7 2 0 -0,2473 0,441770919865073
116121 BDB-kin125258.mol2, BDB-kin125258.pdbqt 376,16 97,47 -3,43 486,549 3,1095 8 1 0 1,1433 0,578169820974506
116122 BDB-kin125259.mol2, BDB-kin125259.pdbqt 390,42 88,24 -3,955 486,593 4,0192 7 1 0 0,50684 0,46979065616611
116123 BDB-kin125260.mol2, BDB-kin125260.pdbqt 385,23 97,47 -3,852 503,004 3,6147 8 1 1 2,5121 0,567960079104247
116124 BDB-kin125261.mol2, BDB-kin125261.pdbqt 399,49 88,24 -4,377 503,048 4,5244 7 1 1 1,8726 0,464255230642308
116125 BDB-kin125262.mol2, BDB-kin125262.pdbqt 382,51 97,47 -3,744 504,539 3,2103 8 1 1 1,1433 0,539388031826521
116126 BDB-kin125263.mol2, BDB-kin125263.pdbqt 388,42 97,47 -3,798 500,576 3,5074 8 1 1 1,1433 0,52903721869985
116127 BDB-kin125264.mol2, BDB-kin125264.pdbqt 402,68 88,24 -4,323 500,62 4,4171 7 1 1 0,50684 0,415192083770939
116128 BDB-kin125265.mol2, BDB-kin125265.pdbqt 391,58 97,47 -4,166 520,994 3,7155 8 1 1 1,1721 0,479468852120107
116129 BDB-kin125266.mol2, BDB-kin125266.pdbqt 405,84 88,24 -4,691 521,038 4,6252 7 1 1 0,53261 0,367671165870499
116130 BDB-kin125268.mol2, BDB-kin125268.pdbqt 384,75 114,26 -3,576 490,009 2,9888 8 2 0 -1,571 0,380916768547715
116131 BDB-kin125269.mol2, BDB-kin125269.pdbqt 379,54 111,02 -5,137 492,984 4,0072 7 2 0 -1,4051 0,288501506973079
116132 BDB-kin125270.mol2, BDB-kin125270.pdbqt 391,1 114,26 -3,89 507,999 3,0896 8 2 1 -2,911 0,318041039749121
116133 BDB-kin125271.mol2, BDB-kin125271.pdbqt 348,81 88,24 -3,438 456,524 3,3674 7 1 0 -0,30361 0,486160503212698
116134 BDB-kin125272.mol2, BDB-kin125272.pdbqt 355,16 88,24 -3,752 474,514 3,4682 7 1 0 -0,30361 0,454364367836706
116135 BDB-kin125273.mol2, BDB-kin125273.pdbqt 364,23 88,24 -4,174 490,969 3,9734 7 1 0 -0,27577 0,402198474443437
116136 BDB-kin125274.mol2, BDB-kin125274.pdbqt 413,87 114,27 -4,097 525,586 3,6821 9 1 1 3,3108 0,535330425318604
116137 BDB-kin125275.mol2, BDB-kin125275.pdbqt 400,42 97,47 -3,584 502,592 3,6686 8 1 1 1,8001 0,336100729837501
116138 BDB-kin125276.mol2, BDB-kin125276.pdbqt 384,51 108,47 -3,456 488,565 3,2407 8 2 0 0,46674 0,523340454075843
116139 BDB-kin125277.mol2, BDB-kin125277.pdbqt 426,13 114,27 -4,077 539,613 4,0776 9 1 1 -2,9826 0,266742100329919
These data are only available for scientific research purposes.