| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 15 | No |
| 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) | 3.34 | 7.13 | -23.93 | 4 | 3 | 1 | 52 | 318.182 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 7.47 | -5.48 | 3 | 3 | 0 | 50 | 317.174 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 7.38 | -5.24 | 3 | 3 | 0 | 50 | 317.174 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-4-E | Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 21 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 21.1 | 0.72 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 21.1 | 0.72 | Binding ≤ 10μM |
