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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125282 BDB-kin125444.mol2, BDB-kin125444.pdbqt 294,21 113,53 -4,49 376,423 2,1772 9 3 0 0,40351 0,573095640016259
125283 BDB-kin125445.mol2, BDB-kin125445.pdbqt 363,97 122,76 -5,531 468,52 3,119 10 3 0 0,44895 0,410431871709659
125284 BDB-kin125446.mol2, BDB-kin125446.pdbqt 350,21 122,76 -5,726 454,493 3,5843 10 3 0 -0,13631 0,358110254333121
125285 BDB-kin125447.mol2, BDB-kin125447.pdbqt 318,57 113,97 -4,233 418,46 1,7929 10 2 0 1,7365 0,65902680948977
125286 BDB-kin125448.mol2, BDB-kin125448.pdbqt 313,66 124,97 -4,453 418,46 1,7628 10 3 0 4,4414 0,687807313254952
125287 BDB-kin125449.mol2, BDB-kin125449.pdbqt 359,71 150,5 -4,437 495,567 1,5209 12 2 1 5,7225 0,609113449099045
125288 BDB-kin125450.mol2, BDB-kin125450.pdbqt 327,42 124,97 -4,723 432,487 2,0129 10 3 0 0,43412 0,520405517410628
125289 BDB-kin125451.mol2, BDB-kin125451.pdbqt 327,42 124,97 -4,723 432,487 2,0129 10 3 0 0,43412 0,520405517410628
125290 BDB-kin125452.mol2, BDB-kin125452.pdbqt 277,18 108,48 -4,724 359,392 2,5471 8 3 0 1,1067 0,131357783370234
125291 BDB-kin125453.mol2, BDB-kin125453.pdbqt 371,09 144,02 -6,258 501,57 2,9418 10 2 1 1,429 0,389090949721152
125292 BDB-kin125454.mol2, BDB-kin125454.pdbqt 373 150,58 -6,584 510,581 2,8718 10 3 1 3,4714 0,400583717456439
125293 BDB-kin125455.mol2, BDB-kin125455.pdbqt 390,3 163,89 -6,582 528,596 2,7155 11 3 2 2,4226 0,378860694771879
125294 BDB-kin125456.mol2, BDB-kin125456.pdbqt 244,23 105,4 -3,476 317,355 1,4941 7 3 0 2,2647 0,812115921297428
125295 BDB-kin125457.mol2, BDB-kin125457.pdbqt 278,42 95,59 -4,193 358,404 2,704 7 3 0 0,6192 0,368627490406826
125296 BDB-kin125458.mol2, BDB-kin125458.pdbqt 258,64 108,06 -3,931 342,365 1,7025 8 3 0 2,886 0,779363169212865
125297 BDB-kin125459.mol2, BDB-kin125459.pdbqt 256,73 101,5 -3,605 333,354 1,7725 8 2 0 -0,13631 0,608999989049595
125298 BDB-kin125460.mol2, BDB-kin125460.pdbqt 242,99 118,29 -2,898 318,343 0,9356 8 3 0 2,2647 0,848084336506823
125299 BDB-kin125461.mol2, BDB-kin125461.pdbqt 291,33 101,5 -5,631 383,414 3,4408 8 2 0 -0,13631 0,40624244717679
125300 BDB-kin125462.mol2, BDB-kin125462.pdbqt 248,36 150,64 -4,303 325,335 0,8326 10 3 0 -0,92606 0,301202589534999
125301 BDB-kin125463.mol2, BDB-kin125463.pdbqt 262,1 133,85 -4,245 340,346 1,4399 10 2 0 -0,92606 0,298604223323148
These data are only available for scientific research purposes.