UCSF

ZINC01531664

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 42 No

Popular Name: Ginkgetin Ginkgetin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 481-46-9 , 481-46-9 (ginkgetin) , [481-46-9]

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) 5.97 -2.58 -21.75 4 10 0 159 566.518 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0496349B1; EP0577143A2; EP0577143A3; EP0577143B1; EP0714296A1; EP0833631A1; EP0877619A1; EP1017727A1; EP1037646A1; US5241022; US5468492; US5756538; US5773462; US5948918; US6004998; US6086915; US6123944; WO1995005169A1; WO1997000679A1; WO1997039355A1; WO IBM Patent Data

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 4180 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BACE1_HUMAN P56817 Beta-secretase 1, Human 4180 0.18 Binding ≤ 10μM

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