A68930

Ligand id: 6077

Name: A68930

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 75.71
Molecular weight 271.12
XLogP 2.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S)-1-(aminomethyl)-3-phenylisochroman-5,6-diol
Synonyms
A 68930 | A 70108 | A 70360 | A-68930 | A-70108 | A-70360 | A70108 | A70360
Database Links
ChEMBL Ligand CHEMBL86931
PubChem CID 122324
Search Google for chemical match using the InChIKey SUHGRZPINGKYNV-GJZGRUSLSA-N
Search Google for chemicals with the same backbone SUHGRZPINGKYNV
Search UniChem for chemical match using the InChIKey SUHGRZPINGKYNV-GJZGRUSLSA-N
Search UniChem for chemicals with the same backbone SUHGRZPINGKYNV
Wikipedia A-68930