free energy of aqueous solvation

User 5a88369158

12-03-2010 14:18:16

Is there some way to calculate the free energy of aqueous solvation for a series of compounds?


thanks

User 851ac690a0

23-03-2010 22:04:42

Hi,


We don't have method for calculating the "free energy of aqueous solvation".  May be  the next paper will help you.


Perspectives in Drug Discovery and Design: Volume 19, Number 1 / September ,2000, pages 85 - 98


"Abstract:  Methods for the calculation of two properties of interest in drug design, namely free energy of aqueous solvation and lipophilicity (log P), using fragmental methods are reviewed here."...


 


Jozsi

User 5a88369158

24-03-2010 01:14:42

thanks a lot


 


yash