Quick Search Bar

The Quick Search Bar may be used to enter free-form text to query ZINC. The goal is to offer fast google-like simplicity. The input is interpreted as follows. Wildcards are supported

Number(s)

If it is a number, interpret as a ZINC ID. To force this behavior, prefix with zinc:

e.g. zinc:32768 and 32768 and 32768+55535+7   and  3933993*   ; are all supported

Number-Number-Number

If it is of the form number-number-number, interpret as a CAS number. For force this behavior, prefix with cas:

e.g. cas:5-6-10 and 6-54-2  and 3-5-6+3-4-2     ; are all supported

SMILES and SMARTS

If it is a valid SMILES, interpret as "90% similar to". To force this behavior, prefix with smiles:

Optionally after SMILES (SMARTS) add identical, exact, substructure, 80% or 0.8 (or any value) for corresponding searches.

e.g. smiles:O=C1CCN1 substructure     and    smiles:O=C1CCN1 77%     and   C1CCNCC1 exact     ; are all supported

Name

Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug:

e.g.  drug:cetirizine     and    drug:*pram   and    ibuprofen    ; are all supported

Target

Attempt to interpret as target name. Uniprot and SwissProt codes as well as target names are supported. To force this behavior, prefix with target:

e.g. target:5ht1a*       and      hdac*        and   DRD2_HUMAN    and Q2LFS1    ; are all supported

Catalog

Attempt to interpret as catalog name. To force this behavior, prefix with catalog:

e.g. ChemBridge    and catalog:Enamine  ;  are all supported

Attempt to interpret as a catalog code, optionally prefixed with catalog name. Thus

e.g. ChemBridge T12345     and Enamine 194394*    and    vendor 12345 ; are all supported. In the last case, any compound called 12345 by any vendor.