Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol-Reference-Cited by-同舟云学术

Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

Published:2018-02-08 Issue:2 Volume:3 Page:1653-1662
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Rossini Emanuele¹²,Bochevarov Art D.³^ORCID,Knapp Ernst Walter¹^ORCID

Affiliation:

1. Freie Universität Berlin, Institute of Chemistry and Biochemistry, Fabeck Strasse 36A, Berlin D-14195, Germany

2. Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Strasse 3, Frankfurt a. M. 60438, Germany

3. Schrödinger Inc, 120 West 45th Street, 17th floor, New York, New York 10036, United States

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.7b01895

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4. Kerns, E. H.; Di, L.Drug-like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, 2013; Vol.53.

5. The pKa Distribution of Drugs: Application to Drug Discovery

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