chemaxoncalclogd
ChemAxon logD calculator
Options
Method
Weights of the three, built-in calculation methods:
- VG (Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci., 1989, 29, 163-172)
- KLOP (Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752)
- PHYS (PHYSPROP© database)
Cl- concentration
range: 0 - 0.25 M
Na+ + K+ concentration
range: 0 - 0.25 M
pH
Calculates logD at the given pH
Tautomerization
Consider tautomerization and resonance
chemaxoncalclogd.txt · Last modified: 2012/10/15 09:12 by rkiss