General
Preferred name
METALDEHYDE
Synonyms
P&D ID
PD100596
CAS
9002-91-9
108-62-3
37273-91-9
Tags
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
176.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
1.45
TPSA
36.92
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
8.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
