Metrabase

Metabolism and Transport Database

Search by compound

Either draw a molecule / load a MOL file:

Or enter a name / MOL file / SMILES string / SMARTS string / Standard InChI

Examples: Fexofenadine / CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 / InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)


Similarity search:      Tanimoto cut-off:
Substructure search:
Exact structure search: