chemaxoncalclogp
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chemaxoncalclogp [2012/10/14 11:46] – rkiss | chemaxoncalclogp [2012/10/15 09:11] (current) – rkiss | ||
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====== ChemAxon logP calculator ====== | ====== ChemAxon logP calculator ====== | ||
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+ | {{: | ||
Calculates logarithm of the octanol/ | Calculates logarithm of the octanol/ | ||
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== Method == | == Method == | ||
- | Weights of the three, built-in calculation methods: VG (ref:Viswanadhan, | + | Weights of the three, built-in calculation methods: |
+ | * VG (Viswanadhan, | ||
+ | * KLOP (Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752) | ||
+ | * PHYS (PHYSPROP© database) | ||
**Cl< | **Cl< | ||
range: 0 - 0.25 M, default: 0.1 M | range: 0 - 0.25 M, default: 0.1 M | ||
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- | |||
**Na< | **Na< | ||
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range: 0 - 0.25 M, default: 0.1 M | range: 0 - 0.25 M, default: 0.1 M | ||
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== pH == | == pH == |
chemaxoncalclogp.1350215162.txt.gz · Last modified: 2012/10/14 11:46 by rkiss