| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 27 | Yes |
Popular Name: (1S)-N-[2-(4-cyclohexyl-1-piperidyl)ethyl]-5-methoxy-tetralin-1-amine (1S)-N-[2-(4-cyclohexyl-1-piperi…
| 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 | 13.05 | -130 | 3 | 3 | 2 | 30 | 372.597 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 11.85 | -39.61 | 2 | 3 | 1 | 26 | 371.589 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.67 | 0.48 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.67 | 0.48 | Binding ≤ 10μM |
