UCSF

ZINC00968696

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 18 Yes

Popular Name: Benzyl 2-naphthyl ether Benzyl 2-naphthyl ether

Find On: PubMed — Wikipedia — Google

CAS Numbers: 613-62-7 , [613-62-7]

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) 4.77 1.51 -5.95 0 1 0 9 234.298 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 102 TCI
Melting_Point 96-98? Alfa-Aesar
Melting_Point 96-98° Alfa-Aesar
PUBCHEM_PATENT_ID EP0524419B1; EP0534257B1; US5270281; US5306688; US5391806 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-4-E Arachidonate 5-lipoxygenase (cluster #4 Of 6), Eukaryotic Eukaryotes 9500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 9500 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)

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