| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2010 | 23 | Yes |
Popular Name: N-methyl-3-phenyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]propanamide N-methyl-3-phenyl-N-[(1S,2R)-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) | 3.81 | 11.95 | -38.64 | 1 | 3 | 1 | 25 | 315.481 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1335 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 1335 | 0.36 | Binding ≤ 10μM |
