| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 14 | No |
Popular Name: (5S)-4-hydroxy-3,5-dimethyl-5-[(2S)-2-methylbut-3-enyl]thiophen-2-one (5S)-4-hydroxy-3,5-dimethyl-5-[(…
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) | 2.59 | 4.96 | -9.66 | 0 | 2 | 0 | 34 | 212.314 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 4.96 | -36.32 | 0 | 2 | -1 | 40 | 211.306 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 5.14 | -5.19 | 0 | 2 | 0 | 34 | 212.314 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
