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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125342 BDB-kin125504.mol2, BDB-kin125504.pdbqt 264,58 108,07 -4,453 338,37 2,2822 8 2 0 -0,92606 0,285637586909099
125343 BDB-kin125505.mol2, BDB-kin125505.pdbqt 265,68 102,5 -5,491 343,393 3,1361 7 2 0 -1,008 0,182775331392764
125344 BDB-kin125506.mol2, BDB-kin125506.pdbqt 299,6 124,62 -5,148 386,418 2,452 9 2 0 -0,92606 0,243844838752919
125345 BDB-kin125507.mol2, BDB-kin125507.pdbqt 256,5 111,73 -4,901 343,777 2,3087 8 2 0 -0,80603 0,270545654295889
125346 BDB-kin125508.mol2, BDB-kin125508.pdbqt 231,08 102,5 -3,966 293,333 1,7652 7 2 0 -1,008 0,311567214257972
125347 BDB-kin125509.mol2, BDB-kin125509.pdbqt 305,95 124,62 -5,462 404,408 2,5528 9 2 0 -2,2661 0,192133543414784
125348 BDB-kin125510.mol2, BDB-kin125510.pdbqt 335,87 152,27 -4,679 454,465 1,7897 11 3 1 2,7572 0,368159631183246
125349 BDB-kin125511.mol2, BDB-kin125511.pdbqt 313,62 101,38 -6,421 416,484 3,5821 8 1 0 6,0309 0,223726497153895
125350 BDB-kin125512.mol2, BDB-kin125512.pdbqt 359,06 147,84 -3,46 484,583 1,2354 11 2 1 5,7402 0,695724525596054
125351 BDB-kin125513.mol2, BDB-kin125513.pdbqt 277,59 118,29 -4,294 368,403 2,375 8 3 0 2,2647 0,421762336465325
125352 BDB-kin125514.mol2, BDB-kin125514.pdbqt 292,6 108,48 -5,46 393,837 3,1531 8 3 0 1,1753 0,243710158595338
125353 BDB-kin125515.mol2, BDB-kin125515.pdbqt 291,44 108,48 -5,24 385,43 2,8652 8 3 0 3,4185 0,217260762559837
125354 BDB-kin125516.mol2, BDB-kin125516.pdbqt 256,73 101,5 -3,605 333,354 1,7725 8 2 0 -0,13631 0,608999989049595
125355 BDB-kin125517.mol2, BDB-kin125517.pdbqt 253,78 111,73 -4,793 345,312 1,9043 8 2 0 -2,2661 0,232263312277218
125356 BDB-kin125518.mol2, BDB-kin125518.pdbqt 231,52 102,5 -4,25 315,286 1,6229 7 2 0 -2,348 0,256092016064492
125357 BDB-kin125519.mol2, BDB-kin125519.pdbqt 266,97 128,8 -4,803 355,332 1,7368 9 2 0 -4,3393 0,213713334846644
125358 BDB-kin125520.mol2, BDB-kin125520.pdbqt 239,76 98,84 -4,32 320,783 1,5365 7 2 0 -3,4433 0,240172019432107
125359 BDB-kin125521.mol2, BDB-kin125521.pdbqt 315,57 106,97 -5,12 419,847 2,6413 9 2 0 -1,425 0,217062378353204
125360 BDB-kin12621.mol2, BDB-kin12621.pdbqt 319,25 143,63 -6,175 413,444 2,9141 10 4 0 -0,028799 0,227292771250192
125361 BDB-kin126541.mol2, BDB-kin126541.pdbqt 325,6 143,63 -6,489 431,434 3,0149 10 4 0 -1,3688 0,17010302927616
These data are only available for scientific research purposes.