| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 14 | No |
Popular Name: (5R)-4-hydroxy-3,5-dimethyl-5-(3-methylbut-2-enyl)thiophen-2-one (5R)-4-hydroxy-3,5-dimethyl-5-(3…
| 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) | 2.87 | 5.54 | -8.1 | 0 | 2 | 0 | 34 | 212.314 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 5.54 | -35.91 | 0 | 2 | -1 | 40 | 211.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 5.51 | -4.42 | 0 | 2 | 0 | 34 | 212.314 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
