dihexa predicted pka What would you guys estimate and why? I don't know if I should be using the pka of 11 or 36 for molecules with NH2. I thinkI was made aware of Calculating pKa with Density Functional

Calculating pKa with Density Functional Theory Determination of acid dissociation constants (pKa) of cephalosporin antibiotics: Computational and experimental approaches ScienceDirect pKa prediction from ab initio calculations Research Outreach Table 1 from Prediction of pKa Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors Semantic Scholar

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