UCSF

ZINC66074319

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 Yes

Popular Name: 2-ethyl-4-[4-[2-(1H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine 2-ethyl-4-[4-[2-(1H-tetrazol-5-y…

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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) 5.22 9.55 -50.25 0 7 -1 88 393.43 5 ↓

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 24 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_CAVPO Q9WV26 Type-1 Angiotensin II Receptor, Guinea Pig 24 0.36 Binding ≤ 1μM
AGTR1_CAVPO Q9WV26 Type-1 Angiotensin II Receptor, Guinea Pig 24 0.36 Binding ≤ 10μM

Rings

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

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