UCSF

ZINC03870339

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: epigallocatechin epigallocatechin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3371-27-5 , 970-74-1 , [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 -6.48 -14.44 6 7 0 131 306.27 1 ↓

Vendor Notes

Note Type Comments Provided By
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 2400 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BACE1_HUMAN P56817 Beta-secretase 1, Human 2400 0.36 Binding ≤ 10μM

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