Public Computational Chemistry Database Project

- create tautomers -

 select file format

2D molecular structure

SMILES for tautomers

MOL format

 select a tautmer


  • You can create tautomers of a molecule.
  • To obtain tautomers, please click the "create" button, after inputing your molecule.
  • Please write a molecular structure in the textbox
  • You can select your file through the "Choose File" button.
  • If you choose "auto" in the select file format, we try to distinguish the format from the file extension. "SDF", "MOL", "XYZ", "PDB" "GAMESS input", and "Gaussian input" file formats are supported,
  • The Gaussian input file format is partially supported.
  • We can create up to 2,000 tautomers at a time. (This restriction will be relaxed in the near future.)
  • Ambit-Tautomer is employed to create tautomers.

Copyright © PCCDB Project