| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 13 | No |
Popular Name: (5S)-5-[(1E)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethyl-thiophen-2-one (5S)-5-[(1E)-buta-1,3-dienyl]-4-…
| 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) | 2.91 | 4.67 | -34.17 | 0 | 2 | -1 | 40 | 195.263 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 3.84 | -14.69 | 1 | 2 | 0 | 37 | 196.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 4.63 | -4.92 | 0 | 2 | 0 | 34 | 196.271 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
