UCSF

ZINC01561846

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 15 Yes

Popular Name: 1-Methoxy-4-phenoxy-benzene 1-Methoxy-4-phenoxy-benzene

Find On: PubMed — Wikipedia — Google

CAS Number: 1655-69-2

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) 3.75 1.84 -5.1 0 2 0 18 200.237 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0082506A2; EP0095946A1; EP0160997A2; EP0160997B1; EP0160998A2; EP0160998B1; EP0165607A2; EP0165607B1; EP0168666A2; EP0168666B1; EP0415982B1; EP0583962B1; EP0603889A3; EP0618249A3; EP0654492A2; EP0654492A3; EP0710684A3; EP0712880A3; EP0732341A3; EP073234 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LKHA4-2-E Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic Eukaryotes 3390 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LKHA4_HUMAN P09960 Leukotriene A4 Hydrolase, Human 3390 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of Leukotrienes (LT) and Eoxins (EX)

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