| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 25 | Yes |
Popular Name: 7-[2-(4-isopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-(4-isopropylphenyl)-2-oxo-e…
| 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) | 2.72 | 10.72 | -16.37 | 0 | 7 | 0 | 79 | 340.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 11.2 | -51.92 | 1 | 7 | 1 | 80 | 341.391 | 4 | ↓ |
