taurine

Ligand id: 2379

Name: taurine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 88.77
Molecular weight 125.01
XLogP -1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-aminoethanesulfonic acid
International Nonproprietary Names
INN number INN
6171 taurine
Database Links
CAS Registry No. 107-35-7 (source: DrugBank)
ChEBI CHEBI:15891
ChEMBL Ligand CHEMBL239243
DrugBank Ligand DB01956
PubChem CID 1123
RCSB PDB Ligand TAU
Search Google for chemical match using the InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XOAAWQZATWQOTB
Search PubMed clinical trials taurine
Search PubMed titles taurine
Search PubMed titles/abstracts taurine
Search UniChem for chemical match using the InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XOAAWQZATWQOTB
Wikipedia Taurine