General
Preferred name
Docosanoic acid
Synonyms
BEHENIC ACID ()
Monobehenin ()
Docosanoic Acid-d43 ()
P&D ID
PD020790
CAS
112-85-6
30233-64-8
29823-26-5
Tags
natural product
drug
available
Drug Status
approved
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
9
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
340.33
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
20
Ring Count
0
Aromatic Ring Count
0
cLogP
7.89
TPSA
37.3
Fraction CSP3
0.95
Chiral centers
0.0
Largest ring
0.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Metabolic Enzyme/Protease
Anti-infection
Target
DNA polymerase beta
Endogenous Metabolite
Bacterial
MOA
membrane permeability inhibitor
Source data
