| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 27 | 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) | 4.77 | 7.49 | -7.35 | 1 | 3 | 0 | 41 | 402.321 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 271 | 0.34 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 65 | 0.37 | Binding ≤ 10μM |
| Z100491-1-O | Sigma 2 Receptor (cluster #1 Of 2), Other | Other | 72 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 240 | 0.34 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 4.5 | 0.43 | Binding ≤ 1μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 13.4 | 0.41 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3.2 | 0.44 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 240 | 0.34 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 4.5 | 0.43 | Binding ≤ 10μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 13.4 | 0.41 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3.2 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.