User 6cec6c5ae2
20-10-2011 20:44:11
Hi all!
I've written several posts on the forum. I asked to tell how to use Marvin to estimate the values for my microconstants trifenola (k1-k12).
Not to be confused with рKa1 -рKa3 - here is clear.
I always answered colleague Jozsi (see forum). But I have not received an answer to my question. I think that's the big secret of Marvin. If so, then I'll take your question ...
AlexandrI
User 851ac690a0
24-10-2011 14:51:51
Hi,
You obtained answer here.
https://www.chemaxon.com/forum/viewpost37858.html
Once more, may be I was not clear.
1. Draw all microspecies into the Marvin's canvas.
2. Click on the Tool button and on the protonation menu and calculate the micro constants as it was described for you. You are going to get 12 different micro pka values for the set of microspecies.
It can occure that the number of the micro pka values is less than 12 in case your molecule is symmetric.
Jozsi