General
Preferred name
Allantoic acid
Synonyms
Allantoate ()
P&D ID
PD040547
CAS
99-16-1
Tags
drug candidate
natural product
available
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
32
Properties
(calculated by RDKit )
Molecular Weight
176.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-2.27
TPSA
147.54
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
0.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
