| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2005 | 26 | Yes |
Popular Name: 7-benzyl-3-methyl-8-(4-methylpiperazin-1-yl)-purine-2,6-dione 7-benzyl-3-methyl-8-(4-methylpip…
| 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) | 0.96 | 9.86 | -53.6 | 2 | 8 | 1 | 80 | 355.422 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 7.48 | -8.58 | 1 | 8 | 0 | 79 | 354.414 | 3 | ↓ |
