| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 23 | Yes |
Popular Name: (1S,5S)-7-allyl-9-[(2,4-dimethoxyphenyl)methyl]-7,9-diazabicyclo[3.2.2]nonane (1S,5S)-7-allyl-9-[(2,4-dimethox…
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| 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) | 3.20 | 7.29 | -36.63 | 1 | 4 | 1 | 26 | 317.453 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 5.85 | -4.1 | 0 | 4 | 0 | 25 | 316.445 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 7.78 | -32.78 | 1 | 4 | 1 | 26 | 317.453 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 267 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 267 | 0.40 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 267 | 0.40 | Binding ≤ 10μM |
