General
Preferred name
ALLANTOIN
Synonyms
P&D ID
PD131372
CAS
97-59-6
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
2
Cayman Chemical Bioactives
Drug Repurposing Hub
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
158.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.18
TPSA
113.32
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
5.0
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
skin protectant
MOA
cosmetic
Source data
