| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 33 | No |
Popular Name: 5,5-diphenyl-3-[2-(4-phenyl-1-piperidyl)ethyl]imidazolidine-2,4-dione 5,5-diphenyl-3-[2-(4-phenyl-1-pi…
| 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) | 4.92 | 14.57 | -42.51 | 2 | 5 | 1 | 54 | 440.567 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 13.31 | -41.84 | 1 | 5 | 0 | 60 | 439.559 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.92 | 12.27 | -9.61 | 1 | 5 | 0 | 53 | 439.559 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 43 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 17 | 0.33 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 17 | 0.33 | Binding ≤ 10μM |
