UCSF

ZINC20253546

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 Yes

Popular Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]acetic 2-[4-(2-imidazol-1-ylethoxy)phen…

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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) 1.10 7.78 -50.35 0 5 -1 67 245.258 6 ↓
Mid Mid (pH 6-8) 1.10 8.26 -68.63 1 5 0 68 246.266 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
THAS-3-E Thromboxane-A Synthase (cluster #3 Of 3), Eukaryotic Eukaryotes 32 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THAS_HUMAN P24557 Thromboxane-A Synthase, Human 32 0.58 Binding ≤ 1μM
THAS_HUMAN P24557 Thromboxane-A Synthase, Human 32 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Eicosanoids
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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

No pre-computed analogs available. Try a structural similarity search.