4-AMBA

Ligand id: 4702

Name: 4-AMBA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 63.32
Molecular weight 151.06
XLogP 0.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(aminomethyl)benzoic acid
Database Links
CAS Registry No. 56-91-7 (source: Scifinder)
ChEMBL Ligand CHEMBL328875
PubChem CID 65526
RCSB PDB Ligand 4AZ
Search Google for chemical match using the InChIKey QCTBMLYLENLHLA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QCTBMLYLENLHLA
Search UniChem for chemical match using the InChIKey QCTBMLYLENLHLA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QCTBMLYLENLHLA
Wikipedia Aminomethylbenzoic acid