General
Preferred name
N¦Á-Acetyl-L-asparagine
Synonyms
N??-Acetyl-L-asparagine ()
(S)-2-acetamido-4-amino-4-oxobutanoic acid ()
N-Acetylasparagine, (S)-2-acetamido-4-amino-4-oxobutanoic acid ()
P&D ID
PD098744
CAS
4033-40-3
Tags
available
natural product
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
30
Properties
(calculated by RDKit )
Molecular Weight
174.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.55
TPSA
109.49
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
MOA
Endogenous Metabolite
Source data
