Structure Search

This tool is a molecular editor that can be used to draw basic to complex molecular structures for the purpose of searching our chemical databases for compounds that match the chemical structure exactly as drawn or as a substructural moiety of a more complex compound.

  • Select a bond type (single, double, triple or chain) or a ring structure by clicking on the drawing tools menu (top horizontal).
  • Click anywhere in the drawing area.
  • Add the same bond type by simply clicking on the end of an existing bond; add a different bond type or ring by selecting from the menu and clicking on the end of an existing bond.
  • Add a functional group by clicking FG on the menu, selecting from the dropdown and clicking on the end of an existing bond; add a heteroatom by selecting an atom from the left vertical menu and clicking on the end of an existing bond.
  • To clear the drawing area, click the white rectangle in the topmost menu; to remove an existing bond, select X and click on an existing bond; to remove a functional group, select –R overlaid with an X and click on an existing functional group.
  • Once you have drawn the exact structure or substructure you want to search for, click either the Exact Search or Substructure Search button to query our chemical products database.
Note: This chemical structure search tool, created by Peter Ertl and Bruno Bienfait, is provided here under the terms of the Creative Commons Attribution License. The tool is compatible with all major browsers (Google Chrome, Firefox, Internet Explorer – current and legacy versions IE6 and 7, Safari and Opera).