sulfonamide pKa

User e6bcc1f230

04-04-2013 13:30:41

Hello, calculated (Marvin 5.12.2) pKa of methazolamide sulfonamide group is 10.06, while experimentally observed is about 7.3. For comparison, experimental pKa of acetazolamide is about 7.2, and calculation gives 6.93, which is fair close. These two compounds are very similar. Why are these differences?

User 851ac690a0

09-04-2013 16:43:52



Thanks for reporting this bug.

The fix will be available in the 6.0 version.