| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 21 | Yes |
Popular Name: (1R,2S)-N-methyl-N-phenethyl-2-pyrrolidin-1-yl-cyclohexanamine (1R,2S)-N-methyl-N-phenethyl-2-p…
| 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) | 3.97 | 12.51 | -106.29 | 2 | 2 | 2 | 9 | 288.479 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 10.89 | -29.91 | 1 | 2 | 1 | 8 | 287.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 12.11 | -31.28 | 1 | 2 | 1 | 8 | 287.471 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 125 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 125 | 0.46 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 125 | 0.46 | Binding ≤ 10μM |
