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    • Easy Search

    • Easy search page provides a single text box that allows you search the site by entering a chemical name, an empirical formula, or registryID (CASRN or ACX_ID), or molecular weight.
    • This mode is provided for users who do not wish to use the structure search.
    • Structure Searching--Searching with the ChemDraw Active-X control/Plugin

      • You may search by Chemical Properties, Chemical Identities, or by Structure Drawing.

      • Chemical Properties

        • Molecular Weight

          Search for a molecular weight (e.g. 26, 46, and 46.07) or a molecular weight range (e.g. ‘26-27’, ‘26-26.5’, ‘<20.0’, ‘>8000’). Molecular weight ranges may be specified with either a range operator (‘-‘) or a relational operator (‘<’,’>’).

        • Molecular Formula

          Search for an exact formula by using an ‘=’ operator (e.g. ‘=H2O’, ‘=CH4’) or a by a formula contains (e.g. ‘CH4’, ‘NaCl’, ‘C6H12O6’). Search for a formula range (e.g. ‘C1-2H5N1O1’ for 1 or 2 C, 5H, 1N, and 1 Oxygen). Please note case sensitivity.

      • Chemical Identities

        • Registry ID

          • A Registry ID is an external identifier that uniquely defines a molecule.

          • Valid Registry ID types are:

            • CAS Registry Numbers

            • ACX IDs

          • Search for an exact CASRN (e.g. ‘100-66-3’) or exact ACX_ID (e.g. ‘X1001258-1’)

          • Search using a partial identifier (e.g. ‘X1001258%’ , ‘%66-3’).

        • Name/Synonym

          • Search for a compound by its exact name by using an ‘=’ operator (e.g. ‘=aspirin’, ‘=helium’)

          • Search for compounds by name contains (e.g. ‘aspirin’, ‘guanine’).

        • Examples

      • Structure Drawing

        • Exact or Full Structure Search

          • The Exact search type, also known as an Identity search, is intended for use when you must know if a perfectly identical copy of your query compound is present in the database. The target must be chemically identical to the query, including stereochemistry, charges, and isotopy. It is a convenient shorthand for full structure, same-stereochemistry, and appropriate settings of all the other options. Thus, generic atom and bond types such as R, A, and Double-or-Aromatic in the query will match corresponding atom and bond types in the target only if they are also of the same generic type. In other words, an atom labeled “R” in the query must find a matching atom labeled “R” in the target to produce a hit. If the stereochemistry of the query is unspecified, it will only hit targets which do not specify stereochemistry. The only variable in an exact match search is whether or not it is tautomerically flexible.

        • Substructure Search

          • A substructure search finds structures that contain the query, plus any additional attachments at the open positions

        • Similarity Search

          • Search for similar molecules and select molecules with a Tanimoto coefficient of 90%.