UCSF

ZINC27104260

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 19 Yes

Popular Name: 4-(4-fluorophenyl)-2-(1-propylbutyl)-1H-imidazole 4-(4-fluorophenyl)-2-(1-propylbu…

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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) 4.71 9.9 -36.01 2 2 1 30 261.364 6 ↓
Mid Mid (pH 6-8) 4.71 9.46 -8.2 1 2 0 29 260.356 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 518 0.46 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 518 0.46 Binding ≤ 10μM
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 518 0.46 Binding ≤ 10μM
SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 518 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 518 0.46 Binding ≤ 1μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 518 0.46 Binding ≤ 1μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 518 0.46 Binding ≤ 1μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 518 0.46 Binding ≤ 1μM
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 518 0.46 Binding ≤ 10μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 518 0.46 Binding ≤ 10μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 518 0.46 Binding ≤ 10μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 518 0.46 Binding ≤ 10μM

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