| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 33 | Yes |
Popular Name: diethyl diethyl
| 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) | 3.39 | 2.84 | -11.13 | 4 | 8 | 0 | 125 | 489.365 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 4.35 | -110.96 | 2 | 8 | -2 | 131 | 487.349 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 2.26 | -37.73 | 3 | 8 | -1 | 128 | 488.357 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 3.61 | -37.98 | 3 | 8 | -1 | 128 | 488.357 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 90 - 92 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
