| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 24 | Yes |
Popular Name: 1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine 1-[(4-methoxyphenyl)methyl]-4-(3…
| 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) | 4.01 | 10.47 | -40.5 | 1 | 3 | 1 | 17 | 325.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 10.48 | -39.32 | 1 | 3 | 1 | 17 | 325.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 8.16 | -5.01 | 0 | 3 | 0 | 16 | 324.468 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.76 | 0.53 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 0.76 | 0.53 | Binding ≤ 10μM |
