General
Preferred name
PD046191
Synonyms
2-hydroxyoctanoic acid ()
2-Hydroxycaprylic acid ()
P&D ID
PD046191
CAS
617-73-2
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
160.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
1.4
TPSA
57.53
Fraction CSP3
0.88
Chiral centers
1.0
Largest ring
0.0
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
