| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 34 | 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) | 3.98 | 4.18 | -10.82 | 3 | 8 | 0 | 114 | 503.392 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 5.64 | -108.5 | 1 | 8 | -2 | 120 | 501.376 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 3.75 | -36.85 | 2 | 8 | -1 | 117 | 502.384 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 4.91 | -35.67 | 2 | 8 | -1 | 117 | 502.384 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 108 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
