UCSF

ZINC13581154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 Yes

Popular Name: 6-fluoro-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1H-benzimidazole 6-fluoro-2-[[4-(2-pyridyl)pipera…

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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) 2.17 6.72 -35.01 2 5 1 49 312.372 3 ↓
Hi High (pH 8-9.5) 2.17 6.41 -9.13 1 5 0 48 311.364 3 ↓
Lo Low (pH 4.5-6) 2.17 7.69 -77.88 3 5 2 51 313.38 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD4-4-E Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 8 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 8 0.49 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 8 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

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