General
Preferred name
HEPRONICATE
Synonyms
Megrin ()
P&D ID
PD072223
CAS
7237-81-2
Tags
available
drug
Drug Status
approved
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
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
505.22
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
0
Rotatable Bonds
14
Ring Count
3
Aromatic Ring Count
3
cLogP
4.7
TPSA
117.57
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
