| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 18 | Yes |
Popular Name: (6E)-6-(5-butyl-1H-pyridin-2-ylidene)-3-methyl-cyclohexa-2,4-dien-1-one (6E)-6-(5-butyl-1H-pyridin-2-yli…
| 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) | 4.61 | 7.63 | -6.8 | 1 | 2 | 0 | 33 | 241.334 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 8.41 | -52.7 | 0 | 2 | -1 | 36 | 240.326 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.61 | 8 | -29.79 | 2 | 2 | 1 | 34 | 242.342 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.