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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50389064 BDB-kin50389285.mol2, BDB-kin50389285.pdbqt 306,83 71,75 -4,196 401,469 2,2226 7 1 0 2,9452 0,2542647748204
50389065 BDB-kin50389286.mol2, BDB-kin50389286.pdbqt 306,83 71,75 -4,196 401,469 2,2226 7 1 0 2,9452 0,706291041167779
50389066 BDB-kin50389287.mol2, BDB-kin50389287.pdbqt 306,83 71,75 -4,196 401,469 2,2226 7 1 0 2,9452 0,706291041167779
50389067 BDB-kin50389288.mol2, BDB-kin50389288.pdbqt 294,94 82,61 -4,533 387,442 2,0898 7 2 0 1,9619 0,662089108098275
50389068 BDB-kin50389289.mol2, BDB-kin50389289.pdbqt 308,33 71,75 -2,9 401,469 1,9209 7 1 0 1,9619 0,765885073129168
50389069 BDB-kin50389290.mol2, BDB-kin50389290.pdbqt 294,57 71,75 -5,736 387,442 1,893 7 1 0 1,9619 0,54531125101087
50389070 BDB-kin50390408.mol2, BDB-kin50390408.pdbqt 302,61 71,75 -2,926 393,489 2,4072 7 1 0 -3,096 0,423590989203004
50389071 BDB-kin50390409.mol2, BDB-kin50390409.pdbqt 290,94 80,98 -2,05 387,414 0,4214 8 1 0 0,57499 0,713684165964538
50389072 BDB-kin50390410.mol2, BDB-kin50390410.pdbqt 267,68 71,75 -2,43 369,399 1,482 7 1 0 0,96583 0,748791106838225
50389073 BDB-kin50390411.mol2, BDB-kin50390411.pdbqt 260,83 71,75 -2,115 339,398 0,8194 7 1 0 2,6008 0,873580333655315
50389074 BDB-kin50393329.mol2, BDB-kin50393329.pdbqt 264,64 82,61 -3,225 379,341 1,2789 7 2 0 -5,2281 0,416889662920958
50389075 BDB-kin50393342.mol2, BDB-kin50393342.pdbqt 257,44 91,84 -2,465 341,37 0,3606 8 2 0 2,0207 0,84403123894371
50389076 BDB-kin50394164.mol2, BDB-kin50394164.pdbqt 250,6 82,61 -3,183 345,789 1,0366 7 2 0 2,0152 0,808354213757871
50389077 BDB-kin50394165.mol2, BDB-kin50394165.pdbqt 253,81 82,61 -3,281 390,24 1,1558 7 2 0 0,17192 0,630821189667617
50389280 BDB-kin50394166.mol2, BDB-kin50394166.pdbqt 313,17 121,9 -6,102 443,527 1,7374 9 2 0 0,50868 0,414176613683003
50389281 BDB-kin50394167.mol2, BDB-kin50394167.pdbqt 301,67 121,9 -5,26 417,489 1,3812 9 2 0 -0,033987 0,456679967342887
50389282 BDB-kin50394168.mol2, BDB-kin50394168.pdbqt 315,43 121,9 -5,046 431,515 1,3414 9 2 0 -0,30344 0,443579423452534
50389283 BDB-kin50394169.mol2, BDB-kin50394169.pdbqt 326,43 121,9 -5,576 445,542 1,3332 9 2 0 -0,89136 0,35921704421653
50389284 BDB-kin50394170.mol2, BDB-kin50394170.pdbqt 312,67 121,9 -5,306 431,515 0,9912 9 2 0 0,15864 0,46029137626013
50389285 BDB-kin50394171.mol2, BDB-kin50394171.pdbqt 326,93 121,9 -5,888 457,553 1,6976 9 2 0 0,28967 0,404974312594968
These data are only available for scientific research purposes.