In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 6th, 2006 | 25 | Yes |
Popular Name: 7-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-(4-ethoxyphenyl)-2-oxo-ethy…
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) | 1.64 | 9.04 | -17.91 | 0 | 8 | 0 | 88 | 342.355 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 9.53 | -54.19 | 1 | 8 | 1 | 89 | 343.363 | 5 | ↓ |