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Published May 22, 2023 | Version v3
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Experimental n-octanol/water Partition/Distribution Coefficients Database for Small Molecules

Authors/Creators

  • 1. Cbio3 Laboratory, School of Chemistry, UCR

Description

We critically compiled experimental values of logPN, pKa, logPI, and logDpH of 225 entries based on earlier literature reports. The experimental technique of logPN , logDpH, and logPI for each molecule were thoroughly revised and added to the database. The molecules were classified between acids and bases according to their functional groups and pKa values. 

Cite:Bertsch, E., Suñer, S., Pinheiro, S., & Zamora, W. J. (2023). Critical Assessment of pH-Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?. ChemPhysChem, 24(24), e202300548.

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References

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