| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 24 | Yes |
Popular Name: (2R,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol (2R,4R)-2-[(4R)-2,2-diphenyl-1,3…
| 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) | 2.53 | 6.57 | -42.66 | 3 | 4 | 1 | 55 | 326.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.36 | -6.76 | 2 | 4 | 0 | 51 | 325.408 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 971 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 971 | 0.35 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 971 | 0.35 | Binding ≤ 10μM |
