General
Preferred name
PD017899
Synonyms
1,3,7-Trimethyluric Acid ()
1,3,7-Trimethyluric Acid-d9 ()
P&D ID
PD017899
CAS
5415-44-1
117490-42-3
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
210.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.74
TPSA
81.79
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Drug Metabolite
Endogenous Metabolite
Source data
