| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 19 | Yes |
Popular Name: (1S)-2-(4-chloro-2,6-dimethyl-phenoxy)-1-phenyl-ethanamine (1S)-2-(4-chloro-2,6-dimethyl-ph…
| 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) | 2.54 | 8.08 | -46.99 | 3 | 2 | 1 | 37 | 276.787 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1B-1-E | Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN2B-1-E | Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN3B-1-E | Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN4A-1-E | Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN4B-1-E | Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| SCN7A-1-E | Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1B_HUMAN | Q07699 | Sodium Channel Beta-1 Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN2B_HUMAN | O60939 | Sodium Channel Beta-2 Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN3B_HUMAN | Q9NY72 | Sodium Channel Beta-3 Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN4B_HUMAN | Q8IWT1 | Sodium Channel Beta-4 Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN4A_HUMAN | P35499 | Sodium Channel Protein Type IV Alpha Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN5A_HUMAN | Q14524 | Sodium Channel Protein Type V Alpha Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| SCN7A_HUMAN | Q01118 | Sodium Channel Protein Type VII Alpha Subunit, Human | 8000 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
