General
Preferred name
PD124106
Synonyms
4-Methyloctanoic acid ()
4-Methyl-n-octanoic Acid ()
P&D ID
PD124106
CAS
153831-54-0
54947-74-9
Tags
available
natural product
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
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
158.13
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
2.68
TPSA
37.3
Fraction CSP3
0.89
Chiral centers
1.0
Largest ring
0.0
QED
0.64
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
