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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127391 BDB-kin136403.mol2, BDB-kin136403.pdbqt 335,23 124,88 -3,719 463,497 1,1824 11 1 1 3,6387 0,699737163250908
127394 BDB-kin136404.mol2, BDB-kin136404.pdbqt 314,84 127,43 -4,664 433,471 1,3429 10 1 0 1,9475 0,619133147505842
127395 BDB-kin136405.mol2, BDB-kin136405.pdbqt 295,28 110,24 -4,146 405,461 0,6689 9 1 0 4,2188 0,736965574173026
127398 BDB-kin136406.mol2, BDB-kin136406.pdbqt 340,14 113,88 -3,469 463,497 1,251 11 0 1 4,2797 0,719043431601839
127399 BDB-kin136407.mol2, BDB-kin136407.pdbqt 352,7 107,89 -2,971 476,539 1,0433 11 0 1 7,2284 0,732154574108582
127400 BDB-kin136408.mol2, BDB-kin136408.pdbqt 316,89 130,47 -3,644 435,486 -0,0018 10 2 0 4,7354 0,750126713745018
127401 BDB-kin136409.mol2, BDB-kin136409.pdbqt 334,89 91,24 -4,966 452,521 2,6553 9 0 0 5,0417 0,589065314998774
127402 BDB-kin136410.mol2, BDB-kin136410.pdbqt 311,48 85,69 -3,647 418,499 1,8334 8 1 0 6,1076 0,75819041158797
127403 BDB-kin136411.mol2, BDB-kin136411.pdbqt 263,47 98,24 -3,842 364,408 1,0529 8 2 0 2,6819 0,464935406757665
127404 BDB-kin136412.mol2, BDB-kin136412.pdbqt 294,92 104,57 -4,554 406,445 1,8956 9 1 0 0,66538 0,344159279177391
127405 BDB-kin136413.mol2, BDB-kin136413.pdbqt 275,36 87,38 -4,036 378,435 1,2216 8 1 0 3,0775 0,452959069571234
127406 BDB-kin136414.mol2, BDB-kin136414.pdbqt 289,87 65,46 -3,854 388,474 2,3538 7 0 0 5,9961 0,760987897056876
127408 BDB-kin136415.mol2, BDB-kin136415.pdbqt 317,64 108,55 -3,705 431,499 1,086 9 1 0 6,883 0,748457053588607
127409 BDB-kin136416.mol2, BDB-kin136416.pdbqt 343,94 85,77 -3,259 459,552 1,704 9 0 0 5,3731 0,734050549581237
127410 BDB-kin136417.mol2, BDB-kin136417.pdbqt 286,16 82,45 -4,842 389,458 2,5563 7 1 0 0,57595 0,325467554271271
127411 BDB-kin136418.mol2, BDB-kin136418.pdbqt 317,64 108,55 -3,705 431,499 1,086 9 1 0 4,1951 0,743281999634993
127412 BDB-kin136419.mol2, BDB-kin136419.pdbqt 315,34 120,58 -4,676 432,487 1,0239 10 2 0 -0,53136 0,163363746381913
127413 BDB-kin136420.mol2, BDB-kin136420.pdbqt 298,63 87,58 -3,566 405,461 1,6931 9 0 0 6,001 0,778814642066845
127414 BDB-kin136421.mol2, BDB-kin136421.pdbqt 352,7 107,89 -2,971 476,539 1,0433 11 0 1 5,3969 0,73076846356813
127415 BDB-kin136422.mol2, BDB-kin136422.pdbqt 326,4 130,67 -3,417 448,486 0,4253 11 1 1 4,2279 0,745385456365591
These data are only available for scientific research purposes.