Briefly described the overall equations involve in pKa?

User d9abb41eed

10-11-2011 06:00:57

Dear Chem Axon team,

I want to know about pKa calculations by using CHemSketch. Kindly guide that how we can calculate or predict newly synthesized compounds pKa? Briefly described the overall equations involve in pKa calculation.

Reply me fast.

Regards,

ChemAxon USer,

Ahsaan Ahmed

ahsaanahmad _at_ hotmail.com

ChemAxon afdac7b783

10-11-2011 17:47:41

Dear Ahsaan Ahmed,

You can calculate pKa really easy by using MarvinSketch.

Draw the molecule in MarvinSketch

Go to "Tools > Protonation > pKa"

You can use default settings for the calculation in the "pKa option" window.

Click "OK"

The result of the pKa calculation will appear in a new window.