pKa prediction, molecular species prediction, isoelectric point prediction 'Protonation'
ChemAxon Protonation: Protonation
Calculate the pKa of ionizable groups! It can also be used for proteins and others.
Our company handles "Protonation groups" suitable for predictions such as pKa (acid-base dissociation constant). We offer a lineup including the high-precision pKa calculation program "pKa," "Microspecies" for predicting major structures at specific pH levels, and "Isoelectric point" for calculating isoelectric points. 【Lineup】 ■ pKa: High-precision pKa calculation program ■ Microspecies: Predicts major structures at specific pH levels ■ Isoelectric point: Calculation of isoelectric points *For more details, please refer to the PDF materials or feel free to contact us.
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basic information
**Features** ■pKa - Many molecules have specific functional groups that can gain or lose hydrogen depending on the environment. - There is no upper limit to the number of ionizable atoms in a molecule, and it can also be applied to proteins and others. ■Microspecies - Identifies the major protonation form at a specific pH. ■Isoelectric point - Calculates the pH at which the overall charge of the compound after ionization is 0 (isoelectric point). - Can display the overall charge distribution of the molecule depending on the pH. *For more details, please refer to the PDF document or feel free to contact us.*
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【Usage】 ■High-precision prediction of pKa (acid-base dissociation constant), molecular species, and isoelectric point 【Usage Forms】 ■As a plugin for Marvin Sketch ■As a cxcalc command line tool ■As a feature of Chemical Terms ■Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.
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Patocoa Inc. is a specialized company in drug discovery support systems. Additionally, we focus on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions to pharmaceutical companies, chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge chemoinformatics systems.
