General
Preferred name
Adenine sulfate
Synonyms
Adeninsulfat ()
Adenine hemisulfate ()
Diadenine sulphate ()
?Adenine (hemisulfate) ()
P&D ID
PD017510
CAS
321-30-2
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
4
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
368.08
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
-0.88
TPSA
235.56
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Target
DNA/RNA Synthesis
Source data
