| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 13 | No |
Popular Name: (5S)-5-[(E)-but-2-enyl]-4-hydroxy-3,5-dimethyl-thiophen-2-one (5S)-5-[(E)-but-2-enyl]-4-hydrox…
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) | 2.09 | 4.91 | -8.76 | 0 | 2 | 0 | 34 | 198.287 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 4.92 | -35.87 | 0 | 2 | -1 | 40 | 197.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 4.92 | -4.77 | 0 | 2 | 0 | 34 | 198.287 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
