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pKa Data

Computer-readable versions of the IUPAC books of experimental pKa values of organic acids and bases.

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pKa Data | pkadata.com Reviews
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Computer-readable versions of the IUPAC books of experimental pKa values of organic acids and bases.
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1 IUPAC smiles pKa experimental pKa Dissociation Constants Ionisation Constants Perrin Kortum Vogel Andrussow Serjeant Boyd Dempsey Izutsu computer-readable pka database pKa Data pKa Value substructure-searchable non-aqueous organic solvent dipolar aprotic solvents Acetone Acetonitrile N
2 N-Dimethylacetamide DMA N
3 N-Dimethylformam
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pKa Data | pkadata.com Reviews

https://pkadata.com

Computer-readable versions of the IUPAC books of experimental pKa values of organic acids and bases.

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pKa Data

http://pkadata.com/datasource.html

IUPAC books of experimental pKas of organic acids and bases as substructure-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKas sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. These books are compilations of experimental pKa values sponsored by the International Union of Pure and Applied Chemistry (IUPAC). By Richard J. Prankerd, ed Harry G. Brittain.

2

pKa Data

http://pkadata.com/aboutus.html

IUPAC books of experimental pKas of organic acids and bases as substructure-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKas sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. In 2008, Tony accepted voluntary redundancy from AstraZeneca. And this provided him with the ideal opportunity to pursue a new venture. He approached IUPAC. Website design by Inspirit Me.

3

pKa Data

http://pkadata.com/conversion.html

IUPAC books of experimental pKas of organic acids and bases as substructure-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKas sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. For the aqueous database, pKb values were converted into pKa values using the method of Bandura and Lvov (. See also the Release on the Ionization Constant of H2O. Website design by Inspirit Me.

4

pKa Data

http://pkadata.com/events.html

IUPAC books of experimental pKas of organic acids and bases as substructure-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKas sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. June 2014, JCAMD article published online. Tony was invited to write an article about the pKa Databases. For a special data edition of the Journal of Computer-Aided Molecular Design. Dr Anthony...

5

pKa Data

http://pkadata.com/products.html

IUPAC books of experimental pKas of organic acids and bases as substructure-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKas sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. PKa Databases created by conversion of the following IUPAC books:-. 3775 molecules, 8766 pKas). Dissociation Constants of Organic Bases in Aqueous Solution, by D. D. Perrin. Associated alphabet...

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pKa Prospector | OpenEye Scientific Software

http://www.eyesopen.com/pka-prospector

Confidence Levels for iPhone. Parallelization - PVM and MPI. Providing protonation insights for novel molecules. Search by molecular properties. A well-curated database of high-quality experimental pKa measurements. Complete experimental data and reference for each measurement. Search using rooted maximum common substructure (MCS) with "electronically-aware" scoring. Advanced filters and alternate search methods. Search by fingerprint similarity. Auto-identification of ionizable groups. This database can...

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pKa Data

IUPAC books of experimental pKas of organic acids and bases as computer-searchable data. 33 years of experience in pharmaceutical research. Compilations of pKa values sponsored by the International Union of Pure and Applied Chemistry. Some features incorporated into the products. Sponsorship, News, Conferences, etc. IUPAC books of experimental pKa values of organic acids and bases in both aqueous and non-aqueous solvents. As searchable pKa databases. Ionisation assignment for logD calculations.

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