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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125302 BDB-kin125464.mol2, BDB-kin125464.pdbqt 301,68 137,09 -4,33 395,426 1,1789 11 2 1 1,2214 0,388498840009842
125303 BDB-kin125465.mol2, BDB-kin125465.pdbqt 274,66 127,86 -4,263 353,389 1,4063 10 2 0 0,38432 0,366619366580544
125304 BDB-kin125466.mol2, BDB-kin125466.pdbqt 291,68 127,86 -4,949 379,427 2,0009 10 2 0 1,8929 0,374617518882166
125305 BDB-kin125467.mol2, BDB-kin125467.pdbqt 305,44 127,86 -5,219 393,454 2,3429 10 2 0 0,50323 0,303340689360771
125306 BDB-kin125468.mol2, BDB-kin125468.pdbqt 298,36 137,51 -5,306 387,406 1,7825 10 2 0 -0,92606 0,241282050243186
125307 BDB-kin125469.mol2, BDB-kin125469.pdbqt 305,95 124,62 -6,415 404,408 2,8842 9 2 0 -2,2661 0,163247951970505
125308 BDB-kin125470.mol2, BDB-kin125470.pdbqt 305,34 136,65 -5,591 393,454 2,3706 10 3 0 -2,3811 0,190032947755097
125309 BDB-kin125471.mol2, BDB-kin125471.pdbqt 272,15 101,5 -4,866 367,799 2,7299 8 2 0 -0,045587 0,497752864186738
125310 BDB-kin125472.mol2, BDB-kin125472.pdbqt 359,85 164,64 -5,047 495,567 1,7539 12 2 1 5,5626 0,330862361592081
125311 BDB-kin125473.mol2, BDB-kin125473.pdbqt 324,96 143,21 -4,225 434,527 1,9685 9 2 0 1,8287 0,387637472892626
125312 BDB-kin125474.mol2, BDB-kin125474.pdbqt 323,03 124,2 -4,06 426,455 1,3954 10 2 0 0,1505 0,333984884741236
125313 BDB-kin125475.mol2, BDB-kin125475.pdbqt 322,77 121,73 -4,692 419,488 3,0518 9 3 0 -2,2077 0,210089062152311
125314 BDB-kin125476.mol2, BDB-kin125476.pdbqt 322,77 121,73 -4,692 419,488 3,0518 9 3 0 -2,2077 0,210089062152311
125315 BDB-kin125477.mol2, BDB-kin125477.pdbqt 329,14 113,53 -4,793 418,503 2,6265 9 3 0 3,3484 0,630351908234369
125316 BDB-kin125478.mol2, BDB-kin125478.pdbqt 318,97 113,53 -4,684 404,477 2,2459 9 3 0 3,1092 0,658858158884333
125317 BDB-kin125479.mol2, BDB-kin125479.pdbqt 354,23 126,42 -4,558 453,509 1,9515 10 3 0 0,35075 0,510204935549964
125318 BDB-kin125480.mol2, BDB-kin125480.pdbqt 354,23 126,42 -4,534 453,509 1,8975 10 3 0 0,35075 0,512609728228745
125319 BDB-kin125481.mol2, BDB-kin125481.pdbqt 354,23 126,42 -4,534 453,509 1,8975 10 3 0 0,35075 0,512609728228745
125320 BDB-kin125482.mol2, BDB-kin125482.pdbqt 376,18 164,25 -5,691 517,569 2,2444 11 3 2 2,4348 0,449383509666548
125321 BDB-kin125483.mol2, BDB-kin125483.pdbqt 384,47 150,5 -3,986 523,62 1,7305 12 2 2 6,5052 0,607861348635808
These data are only available for scientific research purposes.