| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 19 | Yes |
Popular Name: 2-(3,4-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]ethanamine 2-(3,4-dichlorophenyl)-N-[[(2R)-…
| 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) | 3.63 | 10.53 | -130.9 | 3 | 2 | 2 | 21 | 303.277 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 8.41 | -46.75 | 2 | 2 | 1 | 20 | 302.269 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 9.4 | -33.94 | 2 | 2 | 1 | 16 | 302.269 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 16 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 16.05 | 0.57 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 16.05 | 0.57 | Binding ≤ 10μM |
