| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 17 | Yes |
Popular Name: (1-methyl-4-piperidyl) (1-methyl-4-piperidyl)
| 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) | 2.24 | 9.25 | -39.28 | 1 | 3 | 1 | 31 | 234.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 6.85 | -5.72 | 0 | 3 | 0 | 30 | 233.311 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-2-E | Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.41 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.41 | Binding ≤ 10μM |
| SCN3A-2-E | Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.41 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.41 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
