Database for Chemical and Physical Properties of drugs or compounds

Question

[Zhilong Jia]

Are there databases to query Chemical and Physical Properties of drugs or compounds with the input of drugs or compounds names? And then maybe do something like clustering? I'd want to check are there some common attributes for a list of drugs or compounds finally. Thank you.

[Egon Willighagen]

Depending on the properties you are looking for, there are various alternatives (PubChem, ChEMBL, ChemSpider, Drugbank). What properties are you particularly interested in?

Answer 1

[leonqli]

All your need can be found in PubChem (https://pubchem.ncbi.nlm.nih.gov/)

[Egon Willighagen]

Can you please extend your answer with the physchem properties this resource provides?

Answer 2

[mbiochem]

Check Chemistry databases on page

http://www.science.co.il/Chemistry-Databases.asp

Answer 3

[Egon Willighagen]

The Wikidata chemistry community is adding more and more physchem properties for, now, something like 170 thousand compounds. Furthermore, it has many links out to other databases. The SQID interface provides a nice GUI, e.g. for acetic acid. Importantly, Wikidata has a strong reference system, ensuring that many properties values are linked to the (primary) data sources. In the SQID interface, notice the grey "arrows" in the top right next to the property.

Answer 4

[Prowler Software]

Some information I find on chemdb

https://chemdb.net/en/