In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2006 | 26 | Yes |
Popular Name: 7-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-(2,5-dimethoxyphenyl)-2-oxo…
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) | 1.25 | 8.66 | -19.73 | 0 | 9 | 0 | 97 | 358.354 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 9.14 | -53.55 | 1 | 9 | 1 | 99 | 359.362 | 5 | ↓ |