General
Preferred name
SUBERIC ACID
Synonyms
Octanedioic acid ()
OCTANEDIOATE ()
P&D ID
PD000120
CAS
70248-25-8
68937-72-4
505-48-6
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
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
174.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
0
Aromatic Ring Count
0
cLogP
1.5
TPSA
74.6
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
