General
Preferred name
dATP
Synonyms
2'-Deoxyadenosine-5'-O-triphosphate (sodium salt hydrate) ()
P&D ID
PD052000
CAS
67460-17-7
1927-31-7
Tags
available
drug candidate
Drug indication
Discovery agent
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
491.0
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
6
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.6
TPSA
258.9
Fraction CSP3
0.5
Chiral centers
5.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
