General
Preferred name
Adenylosuccinic Acid
Synonyms
Adenylosuccinate (tetraammonium) ()
Aspartyl adenylate (tetraammonium) ()
Adenylosuccinic acid (tetraammonium) ()
Adenylosuccinic Acid (ammonium salt) ()
P&D ID
PD006231
CAS
19046-78-7
Tags
available
natural product
drug candidate
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 ]]
Compound Sets
3
Cayman Chemical Bioactives
DrugBank
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
463.07
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
7
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
2
cLogP
-2.11
TPSA
246.68
Fraction CSP3
0.5
Chiral centers
5.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
