| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 36 | No |
Popular Name: ethyl ethyl
None
None
| 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) | 5.17 | 13.87 | -101.22 | 3 | 7 | 0 | 86 | 494.632 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 12.4 | -47.65 | 0 | 7 | -1 | 86 | 491.608 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 11.65 | -10.66 | 1 | 7 | 0 | 83 | 492.616 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 14.63 | -30.7 | 1 | 7 | 0 | 87 | 492.616 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 14.63 | -73.51 | 2 | 7 | 0 | 88 | 493.624 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 13.87 | -46.14 | 2 | 7 | 1 | 84 | 493.624 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 11.76 | -44.86 | 2 | 7 | 0 | 84 | 493.624 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
