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Records 3561 to 3580 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50341228 BDB-kin50343201.mol2, BDB-kin50343201.pdbqt 291,33 61,88 -6,865 424,356 3,9398 5 1 0 -4,3279 0,128581808746187
50341229 BDB-kin50343202.mol2, BDB-kin50343202.pdbqt 303,22 51,02 -7,059 438,383 4,1085 5 0 0 -3,4552 0,123302130513877
50341230 BDB-kin50343203.mol2, BDB-kin50343203.pdbqt 286,02 51,02 -6,625 384,413 3,6041 5 0 0 2,3259 0,162379894043539
50341231 BDB-kin50343204.mol2, BDB-kin50343204.pdbqt 289,18 51,02 -7,017 404,831 3,8662 5 0 0 2,4211 0,248247675212932
50341232 BDB-kin50343205.mol2, BDB-kin50343205.pdbqt 280,11 51,02 -6,595 388,376 3,361 5 0 0 2,3948 0,27660509529773
50341233 BDB-kin50343206.mol2, BDB-kin50343206.pdbqt 303,22 51,02 -7,059 438,383 4,1085 5 0 0 -3,4552 0,123302130513877
50341494 BDB-kin50343207.mol2, BDB-kin50343207.pdbqt 314,82 123,66 -6,46 432,463 1,8135 9 1 0 -2,8105 0,26038968391409
50343189 BDB-kin50343208.mol2, BDB-kin50343208.pdbqt 348,23 151 -5,731 483,572 3,2628 9 1 0 3,9439 0,282135994630997
50343190 BDB-kin50343209.mol2, BDB-kin50343209.pdbqt 307,46 150,56 -5,617 443,482 3,1221 8 2 0 1,5474 0,478329738859498
50343191 BDB-kin50343210.mol2, BDB-kin50343210.pdbqt 318,56 141,77 -5,727 457,509 3,0273 8 1 0 2,3983 0,484614749061787
50343192 BDB-kin50343211.mol2, BDB-kin50343211.pdbqt 307,46 150,56 -5,617 443,482 3,1221 8 2 0 -3,3618 0,270950244407644
50343193 BDB-kin50343212.mol2, BDB-kin50343212.pdbqt 307,46 150,56 -5,617 443,482 3,1221 8 2 0 0,73333 0,439266570685007
50343194 BDB-kin50343213.mol2, BDB-kin50343213.pdbqt 313,37 150,56 -5,647 439,519 3,3652 8 2 0 -3,2677 0,267678993996202
50343195 BDB-kin50343214.mol2, BDB-kin50343214.pdbqt 324,47 141,77 -5,757 453,546 3,2704 8 1 0 -2,6722 0,265577671019847
50343196 BDB-kin50343215.mol2, BDB-kin50343215.pdbqt 324,61 146,9 -6,092 454,53 3,4045 8 2 0 3,3963 0,276125394733227
50343197 BDB-kin50343216.mol2, BDB-kin50343216.pdbqt 324,61 146,9 -5,567 454,53 3,0531 8 2 0 3,3963 0,512878239967509
50343198 BDB-kin50343217.mol2, BDB-kin50343217.pdbqt 323,37 159,79 -4,989 455,518 2,4946 9 2 0 3,3963 0,579840169231234
50343199 BDB-kin50343218.mol2, BDB-kin50343218.pdbqt 325,85 134,01 -6,362 453,542 4,054 7 2 0 3,5567 0,150348359940688
50343200 BDB-kin50343219.mol2, BDB-kin50343219.pdbqt 324,12 137,67 -6,362 476,939 3,9273 7 2 0 0,80038 0,348138594445853
50343201 BDB-kin50343220.mol2, BDB-kin50343220.pdbqt 346,32 170,69 -6,364 479,54 2,9427 9 2 0 -0,88371 0,286339612872423
These data are only available for scientific research purposes.