| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 29 | Yes |
Popular Name: [5-(4-tert-butylphenyl)-2-furyl]-(4-cyclohexylpiperazin-1-yl)methanone [5-(4-tert-butylphenyl)-2-furyl]…
| 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) | 6.06 | 13.75 | -41.05 | 1 | 4 | 1 | 38 | 395.567 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.06 | 11.6 | -6.38 | 0 | 4 | 0 | 37 | 394.559 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.34 | Binding ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.34 | Binding ≤ 10μM |
| SCNAA-1-E | Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 100 | 0.34 | Binding ≤ 1μM |
| SCN5A_HUMAN | Q14524 | Sodium Channel Protein Type V Alpha Subunit, Human | 100 | 0.34 | Binding ≤ 1μM |
| SCNAA_HUMAN | Q9Y5Y9 | Sodium Channel Protein Type X Alpha Subunit, Human | 30 | 0.36 | Binding ≤ 1μM |
| SCNAA_RAT | Q62968 | Sodium Channel Protein Type X Alpha Subunit, Rat | 90 | 0.34 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 100 | 0.34 | Binding ≤ 10μM |
| SCN5A_HUMAN | Q14524 | Sodium Channel Protein Type V Alpha Subunit, Human | 100 | 0.34 | Binding ≤ 10μM |
| SCNAA_HUMAN | Q9Y5Y9 | Sodium Channel Protein Type X Alpha Subunit, Human | 30 | 0.36 | Binding ≤ 10μM |
| SCNAA_RAT | Q62968 | Sodium Channel Protein Type X Alpha Subunit, Rat | 90 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
