| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 30 | No |
Popular Name: 2-acetoxyethyl 2-acetoxyethyl
None
| 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 | 11.91 | -11.37 | 0 | 6 | 0 | 61 | 408.498 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 13.78 | -51.95 | 1 | 6 | 1 | 62 | 409.506 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102317-2-O | Brain (cluster #2 Of 2), Other | Other | 9800 | 0.23 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3600 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102317 | Z102317 | Brain | 9800 | 0.23 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3600 | 0.25 | Functional ≤ 10μM |
