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Records 2241 to 2260 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
178456 BDB-kin222602.mol2, BDB-kin222602.pdbqt 433,2 121,81 -7,008 589,67 4,3009 11 2 2 -0,72687 0,193886638039699
178457 BDB-kin222603.mol2, BDB-kin222603.pdbqt 430,44 131,04 -6,351 579,631 3,755 12 2 2 1,1436 0,300763213230648
178458 BDB-kin222604.mol2, BDB-kin222604.pdbqt 382,57 126,35 -5,489 529,567 2,7511 11 2 2 -9,8038 0,111367984379158
178459 BDB-kin222605.mol2, BDB-kin222605.pdbqt 468,04 118,59 -7,67 658,729 4,4079 12 1 2 -7,5376 0,123634884793902
178460 BDB-kin222606.mol2, BDB-kin222606.pdbqt 468,26 134,28 -7,442 658,733 3,4754 13 2 2 -0,056061 0,206349074078524
178461 BDB-kin222607.mol2, BDB-kin222607.pdbqt 382,57 126,35 -5,489 529,567 2,7511 11 2 2 -7,8125 0,11140687674713
178462 BDB-kin222608.mol2, BDB-kin222608.pdbqt 430,39 145,6 -7,069 586,626 3,3947 12 2 2 -2,9005 0,169050030175915
178463 BDB-kin222609.mol2, BDB-kin222609.pdbqt 494,78 134,28 -7,084 662,764 4,2731 13 2 2 1,6231 0,191811681983535
178464 BDB-kin222610.mol2, BDB-kin222610.pdbqt 495,28 134,28 -7,548 674,775 4,3046 13 2 2 0,16212 0,152787788566314
178465 BDB-kin222611.mol2, BDB-kin222611.pdbqt 464,17 134,28 -6,586 628,732 3,4247 13 2 2 1,8757 0,293542022902861
178466 BDB-kin222612.mol2, BDB-kin222612.pdbqt 475,67 134,28 -7,428 654,769 3,7809 13 2 2 2,7195 0,263371352359019
178467 BDB-kin222613.mol2, BDB-kin222613.pdbqt 467,76 134,28 -7,008 646,722 3,5082 13 2 2 2,0602 0,274714409239944
178468 BDB-kin222614.mol2, BDB-kin222614.pdbqt 468,26 134,28 -7,472 658,733 3,5397 13 2 2 -0,23698 0,198645355581698
178469 BDB-kin222615.mol2, BDB-kin222615.pdbqt 376,68 108,92 -6,324 524,595 3,327 10 2 1 -0,27406 0,227696797722362
178470 BDB-kin222616.mol2, BDB-kin222616.pdbqt 376,18 108,92 -5,86 512,584 3,2036 10 2 1 -0,39049 0,309169766809678
178471 BDB-kin222617.mol2, BDB-kin222617.pdbqt 491,19 134,28 -6,923 662,764 4,1167 13 2 2 -0,19272 0,196414380208792
178472 BDB-kin222618.mol2, BDB-kin222618.pdbqt 491,69 134,28 -7,387 674,775 4,1482 13 2 2 -1,1936 0,157604030992656
178473 BDB-kin222619.mol2, BDB-kin222619.pdbqt 481,52 134,28 -7,278 660,749 3,8502 13 2 2 0,90085 0,231750300235563
178474 BDB-kin222620.mol2, BDB-kin222620.pdbqt 482,02 134,28 -7,742 672,76 3,8817 13 2 2 -0,10082 0,19058808960333
178475 BDB-kin222621.mol2, BDB-kin222621.pdbqt 482,02 134,28 -7,742 672,76 3,8817 13 2 2 1,3795 0,232470271209594
These data are only available for scientific research purposes.