| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 25 | Yes |
Popular Name: (1R,2S)-N-methyl-N-[2-(2-naphthyl)ethyl]-2-pyrrolidin-1-yl-cyclohexanamine (1R,2S)-N-methyl-N-[2-(2-naphthy…
| 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) | 5.15 | 14.76 | -113.52 | 2 | 2 | 2 | 9 | 338.539 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 13 | -32.14 | 1 | 2 | 1 | 8 | 337.531 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 14.58 | -34.25 | 1 | 2 | 1 | 8 | 337.531 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 37 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 37 | 0.42 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 37 | 0.42 | Binding ≤ 10μM |
