pKalc specifications


Unique identifier OMICS_16059
Name pKalc
Software type Package/Module
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Windows
Computer skills Medium
Stability Stable
Maintained Yes


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pKalc in publications

PMCID: 3462310
PMID: 23049232
DOI: 10.1007/s00044-011-9883-y

[…] for serotonin transporter and their acid–base properties were evaluated. the dissociation constant (pka) of compounds 1–22 were determinated by potentiometric titration and calculated using pkalc 3.1 module of the pallas system. the data from experimental methods and computational calculations were compared and suitable conclusions were reached., studies on major depression, anxiety, […]

PMCID: 2682929
PMID: 19265398
DOI: 10.1021/cr030440j

[…] ionizable groups with the pka values closer than 2−3 units requires a special attention in both experimental– and computational, approaches. four programs for estimating the pka values—pallas/pkalc,() marvin,() acd/pka db,, and sparc() —were compared, using three datasets.(), in the context of pseudo-equilibrium distribution, the ionization equilibria in the aqueous phases are described […]

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pKalc institution(s)
CompuDrug International, Inc., Bal Harbor, FL, USA

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