| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2009 | 20 | Yes |
Popular Name: ethyl ethyl
| 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) | 0.79 | 2.73 | -26.97 | 2 | 8 | 0 | 117 | 296.308 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.61 | 2.26 | -63.51 | 1 | 8 | -1 | 116 | 295.3 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 2.79 | -43.13 | 3 | 8 | 1 | 119 | 297.316 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0318602A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
