General
Preferred name
N-acetyl-beta-neuraminic acid
Synonyms
ACENEURAMIC ACID ()
N-Acetylneuraminic acid ()
Neu5Ac, NeuAc, Acido aceneuramico, Acide aceneuramique, Acidium aceneuramicum, Sialic acid ()
P&D ID
PD000078
CAS
1904-24-1
126934-33-6
131-48-6
Tags
available
drug candidate
Drug Status
experimental
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
4
Drug Repurposing Hub
DrugBank
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
309.11
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
7
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.87
TPSA
176.78
Fraction CSP3
0.82
Chiral centers
6.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CES1, SELE, SELP
Source data
