General
Preferred name
ANSERINE
Synonyms
L-Anserine nitrate salt ()
??alanyl-N-methylhistidine ()
L-Anserine nitrate ()
¦Â-alanyl-N-methylhistidine ()
P&D ID
PD101891
CAS
10030-52-1
584-85-0
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
240.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
-1.12
TPSA
110.24
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
5.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
