General
Preferred name
N-Tridecanoic Acid
Synonyms
Tridecanoic Acid ()
Tridecylic acid ()
Tridecanoic Acid Anion ()
TRIDECANOATE ()
P&D ID
PD007999
CAS
68990-37-4
68002-90-4
638-53-9
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Drug Status
investigational
experimental
Max Phase
2.0
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
6
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
214.19
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
11
Ring Count
0
Aromatic Ring Count
0
cLogP
4.38
TPSA
37.3
Fraction CSP3
0.92
Chiral centers
0.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Source data
