Tautomer Generator

Enumerate tautomeric forms of organic molecules

What are tautomers?

Structural isomers that rapidly interconvert by moving a hydrogen atom and shifting a double bond. Important for: molecular docking, database searching, property predictions, and structure validation.

Test with classic examples:

Important Notes:

  • Stability scores are approximate (vacuum conditions, pH-independent)
  • Predominant tautomer in biological systems may differ based on pH and solvent
  • For docking, consider testing top 2-3 tautomers
  • Tautomers are legally considered the same compound (patent law)
  • Enumeration uses RDKit's graph transformation rules