| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 25 | No |
Popular Name: 7-acetonyl-1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]purine-2,6-dione 7-acetonyl-1,3-dimethyl-8-[(4-me…
| 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) | 0.67 | 9.12 | -55.94 | 1 | 8 | 1 | 83 | 348.427 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 9.56 | -129.38 | 2 | 8 | 2 | 85 | 349.435 | 4 | ↓ |
