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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125261 BDB-kin125424.mol2, BDB-kin125424.pdbqt 281,27 101,5 -4,935 359,392 2,8268 8 2 0 -2,8263 0,350158089515309
125262 BDB-kin125425.mol2, BDB-kin125425.pdbqt 282,75 101,5 -4,633 361,408 2,8834 8 2 0 -0,39505 0,485725196817324
125263 BDB-kin125426.mol2, BDB-kin125426.pdbqt 290,6 121,73 -4,126 377,407 1,9567 9 3 0 -2,1022 0,418912552315976
125264 BDB-kin125427.mol2, BDB-kin125427.pdbqt 276,84 121,73 -4,014 363,38 1,5266 9 3 0 -0,21119 0,565917125349113
125265 BDB-kin125428.mol2, BDB-kin125428.pdbqt 363,97 122,76 -5,531 468,52 3,119 10 3 0 0,44895 0,410431871709659
125266 BDB-kin125429.mol2, BDB-kin125429.pdbqt 363,97 122,76 -5,531 468,52 3,119 10 3 0 0,44895 0,410431871709659
125268 BDB-kin125430.mol2, BDB-kin125430.pdbqt 339,23 139,31 -4,792 440,47 1,7106 11 3 1 0,44895 0,512716096609101
125269 BDB-kin125431.mol2, BDB-kin125431.pdbqt 340,47 126,42 -4,718 439,482 2,1881 10 3 0 0,44895 0,514058835166666
125270 BDB-kin125432.mol2, BDB-kin125432.pdbqt 340,47 126,42 -5,243 439,482 2,5395 10 3 0 0,44895 0,466000848034768
125271 BDB-kin125433.mol2, BDB-kin125433.pdbqt 341,71 113,53 -5,513 438,494 3,189 9 3 0 0,44895 0,431288241075033
125272 BDB-kin125434.mol2, BDB-kin125434.pdbqt 333,79 116,77 -3,575 431,503 1,5723 10 3 0 3,0537 0,58895214367834
125273 BDB-kin125435.mol2, BDB-kin125435.pdbqt 373,47 150,5 -3,915 509,593 1,4438 12 2 2 6,1687 0,633149500246384
125274 BDB-kin125436.mol2, BDB-kin125436.pdbqt 372,64 134,28 -3,81 489,538 2,0851 12 2 1 3,7267 0,651237171925506
125275 BDB-kin125437.mol2, BDB-kin125437.pdbqt 385,2 128,29 -3,312 502,581 1,8774 12 2 2 5,9964 0,672570935892126
125276 BDB-kin125438.mol2, BDB-kin125438.pdbqt 396,03 153,74 -2,948 538,635 1,3015 13 2 2 5,5405 0,644452375096722
125277 BDB-kin125439.mol2, BDB-kin125439.pdbqt 362,64 125,05 -3,495 473,539 1,8819 11 2 1 7,2618 0,702206658328448
125278 BDB-kin125440.mol2, BDB-kin125440.pdbqt 350,21 122,76 -5,726 454,493 3,5843 10 3 0 -0,13631 0,358110254333121
125279 BDB-kin125441.mol2, BDB-kin125441.pdbqt 341,71 113,53 -5,513 438,494 3,189 9 3 0 0,44895 0,431288241075033
125280 BDB-kin125442.mol2, BDB-kin125442.pdbqt 327,95 113,53 -5,708 424,467 3,6543 9 3 0 -0,13631 0,374218504630025
125281 BDB-kin125443.mol2, BDB-kin125443.pdbqt 317,97 122,76 -4,111 406,449 1,6784 10 3 0 0,48581 0,596163739248767
These data are only available for scientific research purposes.