UCSF

ZINC40972258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 Yes

Popular Name: 1-[3-[4,4-bis(4-fluorophenyl)-1,5-dihydroimidazol-2-yl]phenyl]ethanone 1-[3-[4,4-bis(4-fluorophenyl)-1,…

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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) 4.25 11.49 -42.51 2 3 1 43 377.414 4 ↓
Hi High (pH 8-9.5) 4.25 10.93 -11.1 1 3 0 41 376.406 4 ↓
Mid Mid (pH 6-8) 4.25 11.46 -41.98 2 3 1 43 377.414 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 44 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 44 0.37 Binding ≤ 1μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 44 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

Rings

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

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