General
Preferred name
Tetramethylene glycol
Synonyms
1,4-BUTANEDIOL ()
Butane-1,4-Diol ()
P&D ID
PD008271
CAS
28324-25-6
110-63-4
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
90.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.25
TPSA
40.46
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MAN1B1, PLA2G2A, PLA2G2E
MOA
benzodiazepine receptor agonist, gamma hydroxybutyric acid agonist
Source data
