| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 13 | No |
Popular Name: (5R)-4-hydroxy-3,5-dimethyl-5-sec-butyl-thiophen-2-one (5R)-4-hydroxy-3,5-dimethyl-5-se…
| 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) | 2.55 | 4.61 | -8.28 | 0 | 2 | 0 | 34 | 200.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 4.62 | -36.21 | 0 | 2 | -1 | 40 | 199.295 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.73 | -4.17 | 0 | 2 | 0 | 34 | 200.303 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
