Experimental service that allows you to test a set of tautomeric transforms with your own molecules. The predefined set of transforms comprises both the current 24 standard rules used by the chemoinformatics toolkit CACTVS and 55+ additional rules compiled in the context of the IUPAC project of Redesign of the Handling of Tautomerism in InChI V2.

Please be aware that this is a chemoinformatics tool, i.e. the tautomer generation process is strictly pattern-based and does not take energetics into account in any way. Some of the generated tautomers may therefore be of high energy and not detectable experimentally.

Note: In contrast to the standard enumeration of tautomers in CACTVS, which applies all transforms exhaustively and recursively (i.e. creates a complete tautomer network), this tool applies each transform by itself (though repeatedly if applicable).

See https://doi.org/10.26434/chemrxiv.10794962.v1 for more background and information.

Bug reports, comments or questions?

Last Update: 2020-01-10