| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 23 | Yes |
Popular Name: (2R)-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanamide (2R)-2-[[4-(3-phenylpropoxy)phen…
| 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) | 3.50 | 6.84 | -45.91 | 4 | 4 | 1 | 69 | 313.421 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 5.6 | -13.9 | 3 | 4 | 0 | 64 | 312.413 | 9 | ↓ |
| 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 | 7800 | 0.31 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7800 | 0.31 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7800 | 0.31 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7800 | 0.31 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 280 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 280 | 0.40 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 280 | 0.40 | Binding ≤ 10μM |
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 7800 | 0.31 | Binding ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 7800 | 0.31 | Binding ≤ 10μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 7800 | 0.31 | Binding ≤ 10μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 7800 | 0.31 | Binding ≤ 10μM |
