| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 19 | No |
Popular Name: (5S)-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-3,5-dimethyl-thiophen-2-one (5S)-5-[(2E)-3,7-dimethylocta-2,…
| 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) | 4.72 | 9.05 | -8.92 | 0 | 2 | 0 | 34 | 280.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 9.05 | -36.45 | 0 | 2 | -1 | 40 | 279.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 9.03 | -4.61 | 0 | 2 | 0 | 34 | 280.433 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
