UCSF

ZINC13745661

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 32 Yes

Popular Name: 5-(1-hydroxyethyl)-2-propyl-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic 5-(1-hydroxyethyl)-2-propyl-3-[[…

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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) 3.54 8.21 -100.21 1 9 -2 131 430.468 8 ↓
Mid Mid (pH 6-8) 3.54 8.61 -68.82 2 9 -1 132 431.476 8 ↓
Lo Low (pH 4.5-6) 3.54 9.27 -40.89 3 9 0 134 432.484 8 ↓
Lo Low (pH 4.5-6) 3.54 9.37 -45.32 3 9 0 134 432.484 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5616599; US5646171 IBM Patent Data

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 5 0.36 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 4.9 0.36 Binding ≤ 1μM
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 4.9 0.36 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% )