UCSF

ZINC13832278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 34 No

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

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) 4.60 13.35 -105.47 0 8 -2 111 468.542 8 ↓
Lo Low (pH 4.5-6) 4.60 14.38 -45.31 2 8 0 114 470.558 8 ↓
Lo Low (pH 4.5-6) 4.60 14.28 -76.34 1 8 -1 112 469.55 8 ↓

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 620 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 620 0.26 Binding ≤ 1μM
AGTR1_BOVIN P25104 Angiotensin II Type 1a (AT-1a) Receptor, Bovin 620 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% )