Ligand id: 4748

Name: [3H]estrone-3-sulphate    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 89.05
Molecular weight 350.12
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Metabolite or derivative
[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid
[3H]-estrone hydrogen sulfate
Database Links
ChEMBL Ligand CHEMBL494753
PubChem CID 3001028
Search Google for chemical match using the InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
Search Google for chemicals with the same backbone JKKFKPJIXZFSSB