UCSF

ZINC34100756

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 18 Yes

Popular Name: 2-(4-chlorophenyl)-5-phenyl-1H-imidazole 2-(4-chlorophenyl)-5-phenyl-1H-i…

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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) 4.39 9.11 -8.96 1 2 0 29 254.72 2 ↓
Lo Low (pH 4.5-6) 4.39 9.51 -33.13 2 2 1 30 255.728 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 1400 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins

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