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Thank you for such a cool tool! Could you suggest what to do better if there are several pKa values for a molecule (several functional groups)? Should we use the most acidic group in this case? Sorry for troubling. It's not an issue, just a question. #2

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ACDBio opened this issue Aug 6, 2022 · 0 comments

ACDBio commented Aug 6, 2022

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ACDBio changed the title Thank you for such a cool tool! Could you suggest what to do better if there are several pKa values for a molecule (several functional groups)? Should we use the most acidic group in this case? Sorry for troubling. It's not an issue, just a question, Thank you for such a cool tool! Could you suggest what to do better if there are several pKa values for a molecule (several functional groups)? Should we use the most acidic group in this case? Sorry for troubling. It's not an issue, just a question.

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