Research Guides: Biophysics: Data

Data

Databases that include chemical data, properties and safety information are numerous.

Check essential chemistry databases including Reaxys, SciFinder-n, PubChem, ChemSpider, NCBI, Toxinfo.io, and CHEMINFO for essential data and consider databases listed below.

ChEMBL
A database of bioactive drug-like small molecules. includes 2D line structures, properties, and bioactivities.
ChemSynthesis
An accessible database of over 40,000 compounds and more than 45,000 synthesis references.
Colby Organic Database
CRC Handbook of Chemistry and Physics (current edition)
figshare
MassBank
A public repository of high resolution mass spectral data for life sciences, particularly small chemical compounds.
MatWeb
Online materials information resource
NIST Chemistry WebBook
Covers chemical and physical properties, including chemical structure, spectra, and phase change data. Can be searched by chemical species or related data.
NMRShiftDB
NMR web database. Covers organic structures and their nuclear magnetic resonance
Organic Chemistry Portal
Organic Syntheses
Sigma Aldrich Catalog (MilliporeSigma)
SpectraBase
Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals (2015)