| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 17 | Yes |
Popular Name: (1R,5S)-3-cyclohexyl-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane (1R,5S)-3-cyclohexyl-5,8,8-trime…
None
| 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) | 4.66 | 9.94 | -29.37 | 1 | 1 | 1 | 4 | 236.423 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5658923 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-6-E | Sigma Opioid Receptor (cluster #6 Of 6), Eukaryotic | Eukaryotes | 3 | 0.70 | Binding ≤ 10μM |
| Z100491-1-O | Sigma 2 Receptor (cluster #1 Of 2), Other | Other | 1 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100491 | Z100491 | Sigma 2 Receptor | 1.1 | 0.74 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3 | 0.70 | Binding ≤ 1μM |
| Z100491 | Z100491 | Sigma 2 Receptor | 1.1 | 0.74 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 3 | 0.70 | Binding ≤ 10μM |
