UCSF

ZINC13745641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 33 Yes

Popular Name: 2-[4-[[5-ethoxycarbonyl-4-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic 2-[4-[[5-ethoxycarbonyl-4-(1-hyd…

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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) 4.91 12.56 -60.34 1 7 -1 104 449.527 10 ↓
Mid Mid (pH 6-8) 4.91 12.92 -59.84 2 7 0 106 450.535 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 600 0.26 Binding ≤ 1μM
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 600 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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