General
Preferred name
ETHYL PROPIONATE
Synonyms
Propionic Acid Ethyl Ester ()
P&D ID
PD128577
CAS
105-37-3
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
2
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
102.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.96
TPSA
26.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
FFAR3 agonist
Source data
