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chemaxoncalclogd

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ChemAxon logD calculator

Logarithm of the octanol/water distribution coefficient

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Method Weights of the three, built-in calculation methods: VG (ref:Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci., 1989, 29, 163-172), KLOP (ref: Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752), PHYS (ref: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.1349996652.txt.gz · Last modified: 2012/10/12 01:04 by rkiss