| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2006 | 20 | Yes |
Popular Name: 1,3-dimethyl-8-(3-methyl-1-piperidyl)-7H-purine-2,6-dione 1,3-dimethyl-8-(3-methyl-1-piper…
| 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) | 1.57 | 5.78 | -7.69 | 1 | 7 | 0 | 76 | 277.328 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 6.25 | -34.66 | 2 | 7 | 1 | 77 | 278.336 | 1 | ↓ |
