| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 28 | Yes |
Popular Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione 8-(4-ethylpiperazin-1-yl)-3-meth…
| 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) | 1.78 | -2.5 | -51.7 | 2 | 8 | 1 | 80 | 383.476 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | -2.2 | -113.55 | 3 | 8 | 2 | 81 | 384.484 | 4 | ↓ |
