| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 23 | Yes |
Popular Name: 5-(4-chlorophenyl)-N-(3-pyridylmethyl)pyridine-3-carboxamide 5-(4-chlorophenyl)-N-(3-pyridylm…
| 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) | 2.68 | 7 | -9.77 | 1 | 4 | 0 | 55 | 323.783 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 7.47 | -43.1 | 2 | 4 | 1 | 56 | 324.791 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCNAA-1-E | Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7900 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCNAA_MOUSE | Q6QIY3 | Sodium Channel Protein Type 10 Subunit Alpha, Mouse | 7900 | 0.31 | Binding ≤ 10μM |
