L-citrulline

Ligand id: 722

Name: L-citrulline

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 118.44
Molecular weight 175.1
XLogP -3.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-5-(carbamoylamino)pentanoic acid
Database Links
CAS Registry No. 372-75-8 (source: DrugBank)
ChEBI CHEBI:16349
ChEMBL Ligand CHEMBL444814
DrugBank Ligand DB00155
GtoPdb PubChem SID 135650512
PubChem CID 9750
RCSB PDB Ligand CIR
Search Google for chemical match using the InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N
Search Google for chemicals with the same backbone RHGKLRLOHDJJDR
Search UniChem for chemical match using the InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N
Search UniChem for chemicals with the same backbone RHGKLRLOHDJJDR
Wikipedia Citrulline