| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 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) | 4.09 | 12.05 | -37 | 1 | 2 | 1 | 14 | 296.434 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 4 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 4 | 0.53 | Binding ≤ 1μM |
| SGMR1_MOUSE | O55242 | Sigma Opioid Receptor, Mouse | 4 | 0.53 | Binding ≤ 10μM |
