Differences

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--- chemaxoncalclogd [2012/10/11 23:04] – created rkiss
+++ chemaxoncalclogd [2012/10/15 09:12] (current) – rkiss
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 ====== ChemAxon logD calculator ======
+{{:logd.png?800|}}
 Logarithm of the octanol/water distribution coefficient
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-Method
+== 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)
+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<sup>-</sup> concentration**
-Cl- concentration
 range: 0 - 0.25 M
-Na+ + K+ concentration
+**Na<sup>+</sup> + K<sup>+</sup> concentration**
 range: 0 - 0.25 M
-pH
+== pH ==
 Calculates logD at the given pH
-Tautomerization
+== Tautomerization ==
 Consider tautomerization and resonance