Calculates protonation constants

The pKa calculator generates the following properties

Negative charges: Number of negative charges on the major microspecies at the given pH Positive charges: Number of positive charges on the major microspecies at the given pH Total charge: Total charge on the major microspecies at the given pH Number of charges: Number of charges on the major microspecies at the given pH Strongest acidic pKa: Lowest acidic pKa Strongest basic pKa: Highest basic pKa

Temperature (Kelvin) Calculates pKa values at the given temperature (in Kelvin)

Tautomerization Consider tautomerization and resonance

pH Calculates pKa values at the given pH. Not effective in Strongest acidic and basic pKa calculations.

Minimum basic pKa Consider groups with a basic pKa above the given value

Maximum acidic pKa Consider groups with an acidic pKa below the given value