General
Preferred name
TIMOLOL MALEATE
Synonyms
R-Timolol 2-butenedioate ()
P&D ID
PD062005
CAS
26921-17-5
91524-16-2
26839-76-9
1820576-27-9
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
3
Enamine BioReference Compounds
Other bioactive compounds
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
316.16
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
1
cLogP
0.5
TPSA
79.74
Fraction CSP3
0.85
Chiral centers
1.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
