| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 32 | 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) | 3.92 | 4.44 | -9.92 | 3 | 7 | 0 | 105 | 473.366 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 5.9 | -128.74 | 1 | 7 | -2 | 111 | 471.35 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 3.97 | -41.42 | 2 | 7 | -1 | 108 | 472.358 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 5.16 | -40.01 | 2 | 7 | -1 | 108 | 472.358 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 233 | MolMall (formerly Molecular Diversity Preservation International) |
| PUBCHEM_PATENT_ID | US4618679; US4816062 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
