| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 28 | Yes |
Popular Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-(p-tolylmethyl)purine-2,6-dione 1,3-dimethyl-8-(4-methylpiperazi…
| 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) | 2.42 | -0.52 | -52.77 | 1 | 8 | 1 | 69 | 383.476 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | -0.25 | -112.74 | 2 | 8 | 2 | 70 | 384.484 | 3 | ↓ |
