Structure Search

Draw a molecule or paste a SMILES/SMARTS string, then search the catalogue by exact match, substructure, or fingerprint similarity. All computation runs in your browser; nothing is sent to a server.

Draw structure

To change an atom to a heteroatom: select the C tool in the editor toolbar, click the atom, then pick the element from the popup.

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or enter a string

A string entered here overrides the drawing. SMARTS is recommended for precise substructure queries.

Search mode
From your drawing, or a SMILES / SMARTS string
By identifier — type it in the box
Ranked by fingerprint similarity
Tanimoto threshold0.70

New to structure search, or want to get the most out of the similarity tool? Read the guide: Searching a Catalogue by Structure: A Working Chemist's Guide