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Records 601 to 620 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116080 BDB-kin122452.mol2, BDB-kin122452.pdbqt 375,01 88,24 -3,749 494,52 4,1493 7 1 0 -2,8029 0,302887739313674
116081 BDB-kin122453.mol2, BDB-kin122453.pdbqt 399,77 88,24 -4,427 522,573 4,9149 7 1 1 -4,0467 0,227161196157906
116082 BDB-kin122454.mol2, BDB-kin122454.pdbqt 388,77 88,24 -4,049 508,546 4,5556 7 1 1 -2,7691 0,270329378407909
116083 BDB-kin122455.mol2, BDB-kin122455.pdbqt 406,23 105,23 -5,276 537,584 5,2864 7 2 2 -8,159 0,177628778387073
116084 BDB-kin122456.mol2, BDB-kin122456.pdbqt 367,32 88,24 -4,021 478,958 4,0078 7 1 0 3,0467 0,570221950756047
116085 BDB-kin122457.mol2, BDB-kin122457.pdbqt 392,08 88,24 -4,699 507,011 4,7734 7 1 1 1,8232 0,421594285543615
116086 BDB-kin122458.mol2, BDB-kin122458.pdbqt 381,08 88,24 -4,321 492,984 4,4141 7 1 0 3,08 0,508058438264138
116087 BDB-kin122459.mol2, BDB-kin122459.pdbqt 419,1 97,47 -4,706 549,048 4,3995 8 1 1 -1,3232 0,265721660605703
116088 BDB-kin122460.mol2, BDB-kin122460.pdbqt 398,54 105,23 -5,548 522,022 5,1449 7 2 2 -2,2559 0,196301871231736
116089 BDB-kin122461.mol2, BDB-kin122461.pdbqt 381,58 88,24 -4,785 504,995 4,5375 7 1 1 0,039945 0,351322627463862
116090 BDB-kin122462.mol2, BDB-kin122462.pdbqt 371,31 105,31 -4,003 492,941 3,4416 8 1 0 0,36117 0,477487855832762
116091 BDB-kin122463.mol2, BDB-kin122463.pdbqt 410,1 108,47 -4,301 537,037 4,2273 8 2 1 1,1885 0,43129182785413
116092 BDB-kin122464.mol2, BDB-kin122464.pdbqt 388,37 105,23 -5,439 507,995 4,7643 7 2 1 -2,1883 0,220327868159158
116093 BDB-kin122466.mol2, BDB-kin122466.pdbqt 377,37 105,23 -5,061 493,969 4,405 7 2 0 -4,4749 0,234278227063458
116094 BDB-kin122467.mol2, BDB-kin122467.pdbqt 404,29 112,03 -4,739 517,995 4,1141 8 1 1 -3,5262 0,248503430090877
116095 BDB-kin122468.mol2, BDB-kin122468.pdbqt 379,92 88,24 -4,319 484,577 4,2735 7 1 0 0,68908 0,448383354603646
116096 BDB-kin122469.mol2, BDB-kin122469.pdbqt 419,46 142,79 -3,824 551,645 2,7718 10 2 1 2,1841 0,537751673792811
116097 BDB-kin122470.mol2, BDB-kin122470.pdbqt 375,56 102,82 -3,02 481,534 3,8161 8 1 0 -0,066804 0,478240528708751
116098 BDB-kin123347.mol2, BDB-kin123347.pdbqt 362,06 115,71 -2,787 468,495 3,0279 9 1 0 -0,44476 0,49447517450892
116099 BDB-kin124917.mol2, BDB-kin124917.pdbqt 363,3 102,82 -2,652 467,507 3,4182 8 1 0 -1,5832 0,408586555151998
These data are only available for scientific research purposes.