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chemaxoncalclogd [2012/10/14 13:53]
rkiss
chemaxoncalclogd [2012/10/15 11:12] (current)
rkiss
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 ====== ChemAxon logD calculator ====== ====== ChemAxon logD calculator ======
 +
 +{{:​logd.png?​800|}}
  
 Logarithm of the octanol/​water distribution coefficient Logarithm of the octanol/​water distribution coefficient
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 == Method == == 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)+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**
chemaxoncalclogd.txt · Last modified: 2012/10/15 11:12 by rkiss