| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 19 | Yes |
Popular Name: 1,3-dimethyl-8-(1-piperidyl)-7H-purine-2,6-dione 1,3-dimethyl-8-(1-piperidyl)-7H-…
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CAS Number: 961-48-8
| 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) | 1.33 | 7.46 | -8.76 | 1 | 7 | 0 | 76 | 263.301 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 6.96 | -40.05 | 2 | 7 | 1 | 77 | 264.309 | 1 | ↓ |
