General
Preferred name
SAICAR
Synonyms
SAICAR (hydrate) ()
P&D ID
PD053763
CAS
3031-95-6
Tags
available
natural product
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
454.07
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
-3.15
TPSA
263.99
Fraction CSP3
0.54
Chiral centers
5.0
Largest ring
5.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
