UCSF

ZINC13860561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 26 Yes

Popular Name: 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-diisopropyl-5-propyl-4-pyridyl]phenol 5-fluoro-2-[3-(1-hydroxyethyl)-2…

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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) 6.03 7.59 -5.02 2 3 0 53 359.485 6 ↓
Hi High (pH 8-9.5) 6.03 8.34 -40.85 1 3 -1 56 358.477 6 ↓
Lo Low (pH 4.5-6) 6.03 7.9 -26.87 3 3 1 55 360.493 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 10 0.43 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 10 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon signaling in metabolic regulation
Glucagon-type ligand receptors

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

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