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chemaxoncalclogp [2012/10/14 13:42]
rkiss
chemaxoncalclogp [2012/10/15 11:11] (current)
rkiss
Line 1: Line 1:
 ====== ChemAxon logP calculator ====== ====== ChemAxon logP calculator ======
 +
 +{{:​propcalc_logp.png?​800|}}
  
 Calculates logarithm of the octanol/​water partition coefficient Calculates logarithm of the octanol/​water partition 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<​sup>​-</​sup>​ concentration**
  
 range: 0 - 0.25 M, default: 0.1 M range: 0 - 0.25 M, default: 0.1 M
  
-== Na<​sup>​+</​sup>​ + K<​sup>​+</​sup>​ concentration ​==+**Na<​sup>​+</​sup>​ + K<​sup>​+</​sup>​ concentration**
  
 range: 0 - 0.25 M, default: 0.1 M range: 0 - 0.25 M, default: 0.1 M
 +
  
 == pH == == pH ==
chemaxoncalclogp.1350214979.txt.gz · Last modified: 2012/10/14 13:42 by rkiss