General
Preferred name
(-)-3-Dehydroshikimic acid
Synonyms
3-DHS ()
5-Dehydroshikimic acid ()
3-Dehydroshikimate ()
P&D ID
PD059313
CAS
2922-42-1
Tags
available
covalent binder
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
172.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.31
TPSA
94.83
Fraction CSP3
0.43
Chiral centers
2.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
