| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 26 | Yes |
Popular Name: 1,3-dimethyl-7-[2-oxo-2-(4-tert-butylphenyl)-ethyl]-purine-2,6-dione 1,3-dimethyl-7-[2-oxo-2-(4-tert-…
| 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) | 2.92 | 11.12 | -16.23 | 0 | 7 | 0 | 79 | 354.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 11.61 | -51.76 | 1 | 7 | 1 | 80 | 355.418 | 4 | ↓ |
