| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 22 | Yes |
| 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) | 3.96 | 10.84 | -37.93 | 1 | 2 | 1 | 8 | 295.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 10.86 | -36.22 | 1 | 2 | 1 | 8 | 295.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 8.47 | -3.29 | 0 | 2 | 0 | 6 | 294.442 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.66 | 0.58 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.66 | 0.58 | Binding ≤ 10μM |
