General
Preferred name
PD059452
Synonyms
3-Dehydroquinic Acid ()
P&D ID
PD059452
Tags
covalent binder
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
190.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.11
TPSA
115.06
Fraction CSP3
0.71
Chiral centers
3.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
