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Query Examples:

Text Searches
Search PubChem Compound by Example
Compound ID 2244[CID] or 2244[UID]
Substance ID 3232[SID]
BioAssay ID 450[AID]
Molecule Name/Synonym tylenol or tylenol[synonym]
Synonym methotrexate[synonym]
Molecule Name "2-acetoxybenzoic acid"
Molecular Weight 300:310[MW]

You can find more information about PubChem Indexes and Filters.

Chemical Property Range Searches


The Limits tab provides a convenient way to search by chemical properties. Here are few examples:

Which compounds' molecular weights are between 100 and 200 ?

1. In the Chemical Property Search section: For the Molecular Weight (MW) range, type 100 and 200 in the from and to text boxes, respectively

2. Push the Go button in the top Search bar

Which compounds do not violate the "Lipinski Rule of 5"?

1. In the Chemical Property Search section:
a. For the Molecular Weight (MW) range, type 0 and 500 in the from and to text boxes, respectively
b. For the Hydrogen Bond Donor Count (HBD) range, type 0 and 5 in the from and to text boxes, respectively
c. For the Hydrogen Bond Acceptor Count (HBA) range, type 0 and 10 in the from and to text boxes, respectively
d. For the XLogP range, type -5 and 5 in the from and to text boxes, respectively
2. Push the Go button in the top Search bar

Note that compound properties may also be searched directly. e.g. to search compounds with molecular weight between 100 and 200: Enter "100:200[mw]" in the Search textbox and press the Go button, you will get the same result.
Simple Elemental Searches


The Limits tab also provides a way to search by chemical elements. e.g.

Which compounds contain Gallium?

1. In the Specify Required Elements section, select the checkbox to the left of the Ga atomic symbol
2. Push the Go button in the top Search bar

Which compounds contain Carbon, Nitrogen, Oxygen, and Fluorine?

1. In the Specify Required Elements section select the checkboxes to the left of the C , N , O , and F atomic symbols
2. Push the Go button in the top Search bar


About the Database
The PubChem Compounds Database contains validated chemical depiction information provided to describe substances in PubChem Substance.

Structures stored within PubChem Compounds are pre-clustered and cross-referenced by identity and similarity groups. Additionally, calculated properties and descriptors are available for searching and filtering of chemical structures.