Search Compounds by SMILES

e.g. [H][C@]12CC=C(CO)[C@@]1([H])[C@H](O)OC=C2C(=O)OC

Similarity search: The database is searched for similar compounds to the user query using Babel FP2 fingerprint and a Tanimoto coefficient cut-off of 0.6.

By default, hitting Enter key after filling the search will do a similarity search.

Substructure search: This search will return structure(s) having substructure, functional group, scaffold matching the user query. Enter a SMART pattern for substructure matching. For example, “CCN(CC)CC” (without the quotes) will return all compounds having a triethylamine group.