| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 25 | Yes |
Popular Name: 3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one 3-[3-(4-cyclohexylpiperazin-1-yl…
| 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) | 3.34 | 9.91 | -41.49 | 1 | 5 | 1 | 43 | 344.479 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 7.64 | -10.37 | 0 | 5 | 0 | 42 | 343.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 9.96 | -46.82 | 1 | 5 | 1 | 43 | 344.479 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 5 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 5.22 | 0.46 | Binding ≤ 1μM |
| SGMR1_RAT | Q9R0C9 | Sigma Opioid Receptor, Rat | 5.22 | 0.46 | Binding ≤ 10μM |
