General
Preferred name
GALLOCATECHIN GALLATE
Synonyms
P&D ID
PD119802
CAS
5127-64-0
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
DrugMAP
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
458.08
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.23
TPSA
197.37
Fraction CSP3
0.14
Chiral centers
2.0
Largest ring
6.0
QED
0.21
Structural alerts
2
historic compounds (Chemical Probes.org)
Obsolete
Nonspecific reactivity
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
