UCSF

ZINC03870338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 No

Popular Name: (+)-Gallocatechin (+)-Gallocatechin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1617-55-6 , 3371-27-5 , 970-73-0 , 970-74-1 , [970-73-0] , [970-74-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 -7.11 -12.48 6 7 0 131 306.27 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0415126B1; EP0577143A2; EP0577143A3; EP0577143B1; EP0724839A1; EP0761226A1; EP0840770A1; EP0842660A1; EP1005862A1; US5204089; US5306486; US5795911; US5807564; US5968517; US5968973; US6068862; WO1997044407A1; WO2000059834A1 IBM Patent Data
UniProt Database Links LAR_DESUN ChEBI
Target Mitogen-activated protein kinase 1(P28482)&Protachykinin-1(P20366) Herbal Ingredients Targets
Target Protachykinin-1(P20366) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BACE1-2-E Beta-secretase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BACE1_HUMAN P56817 Beta-secretase 1, Human 2500 0.36 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )