Chromatography Forum

Posted: **Sun Feb 17, 2008 4:29 am**

Hi folks,

Just wondering if there is such a program out there. Be nice to draw a compound's structure and have the program predict pKa's to different sites on the molecule.

Is this even possible in a software package I wonder.

Thanks again all.

Posted: **Mon Feb 18, 2008 4:44 pm**

Here is an online calculator for pKa and a few other properties:

http://ibmlc2.chem.uga.edu/sparc/index.cfm

I also highly recommend MarvinSketch which can do pKa, log P, etc.:

http://www.chemaxon.com/

Posted: **Tue Feb 19, 2008 8:21 pm**

Thanks sassman......appreciate the help.

Posted: **Thu Feb 28, 2008 4:41 am**

Useful informatiom for me , thank you !

Chromatography Forum

Freeware pKa prediction software

Freeware pKa prediction software