| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 22 | Yes |
Popular Name: 4-(4-tert-butylphenyl)-2-(1-propylbutyl)-1H-imidazole 4-(4-tert-butylphenyl)-2-(1-prop…
| 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) | 6.26 | 12.11 | -31.41 | 2 | 2 | 1 | 30 | 299.482 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.26 | 11.71 | -8.58 | 1 | 2 | 0 | 29 | 298.474 | 7 | ↓ |
| 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 | 30 | 0.48 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.48 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.48 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.48 | Binding ≤ 10μM |
| Z80471-2-O | SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #2 Of 3), Other | Other | 430 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 1μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 1μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 1μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 1μM |
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 10μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 10μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 30 | 0.48 | Binding ≤ 10μM |
| Z80471 | Z80471 | SH-SY5 (Bone Marrow Neuroblastoma Cells) | 430 | 0.41 | Functional ≤ 10μM |
