UCSF

ZINC29252335

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 33 Yes

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

Find On: PubMed — Wikipedia — Google

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) 4.23 13.08 -77.25 1 9 -1 117 440.487 8 ↓
Hi High (pH 8-9.5) 4.23 12.66 -109.83 0 9 -2 116 439.479 8 ↓
Lo Low (pH 4.5-6) 4.23 13.18 -51.4 2 9 0 119 441.495 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5374615 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTRB-1-E Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 3600 0.23 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% )