| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 26 | No |
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) | 1.62 | 4.99 | -11.67 | 1 | 7 | 0 | 88 | 361.373 | 5 | ↓ |
| Ref Reference (pH 7) | 3.49 | 1.72 | -14.32 | 2 | 7 | 0 | 95 | 361.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 2.52 | -37.73 | 1 | 7 | -1 | 98 | 360.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 1.35 | -37.38 | 1 | 7 | -1 | 98 | 360.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 2.78 | -35.49 | 1 | 7 | -1 | 98 | 360.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 2.46 | -35.69 | 1 | 7 | -1 | 98 | 360.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 4.61 | -41.81 | 3 | 7 | 1 | 93 | 362.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 4.93 | -14.11 | 1 | 7 | 0 | 88 | 361.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 2.82 | -17.71 | 2 | 7 | 0 | 99 | 361.373 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 3.02 | -121.12 | 4 | 7 | 2 | 98 | 363.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
