| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 27 | Yes |
Popular Name: 8-[(3,5-dimethyl-1-piperidyl)methyl]-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-purine-2,6-dione 8-[(3,5-dimethyl-1-piperidyl)met…
| 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) | 1.50 | 2.16 | -37.64 | 1 | 8 | 1 | 83 | 376.481 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 2.38 | -110.64 | 2 | 8 | 2 | 84 | 377.489 | 4 | ↓ |
