| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 22 | No |
Popular Name: (5S)-3-ethyl-5-[2-(2-hexoxyethoxy)ethyl]-4-hydroxy-5-methyl-thiophen-2-one (5S)-3-ethyl-5-[2-(2-hexoxyethox…
| 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) | 3.93 | 7.58 | -10.37 | 0 | 4 | 0 | 53 | 330.49 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 7.61 | -7.32 | 0 | 4 | 0 | 53 | 330.49 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 7.58 | -38 | 0 | 4 | -1 | 59 | 329.482 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
