User Tools

Site Tools


chemaxoncalctau

This is an old revision of the document!


ChemAxon Tautomers calculator

Number of tautomers at the given pH

Options

Dominant tautomers Takes dominant tautomers only

Rational tautomers Takes rational tautomers only. Only effective when Dominant tautomers are selected.

pH Considers pH effect at the given pH (blank: doesn’t consider pH effect)

Path length Maximum allowed length of the tautomerization path in chemical bonds

Protect aromaticity Calculated number of tautomers by retaining input aromatic system

Protect charge Calculated number of tautomers by retaining input charges

Protect double bond stereo Calculated number of tautomers by retaining input double bond stereo configurations

Protect all tetrahedral centers Generate tautomers by retaining all input tetrahedral configurations

Protect labeled tetrahedral centers Generate tautomers by retaining labeled input tetrahedral configurations

Protect ester groups Generate tautomers by retaining ester groups

Exclude antiaromatic compounds Generate tautomers by excluding antiaromatic compounds

Filter out symmetrical structures Generate tautomers by filtering out symmetrical structures

chemaxoncalctau.1349997136.txt.gz · Last modified: 2012/10/11 23:12 by rkiss