General
Preferred name
HEPES
Synonyms
4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid ()
P&D ID
PD070505
CAS
7365-45-9
75277-39-3
103404-87-1
Tags
covalent binder
drug candidate
natural product
available
Drug Status
investigational
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
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
238.1
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.52
TPSA
81.08
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
