| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 27 | Yes |
Popular Name: 7-benzyl-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione 7-benzyl-8-(4-ethylpiperazin-1-y…
| 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 | 10.51 | -52.18 | 2 | 8 | 1 | 80 | 369.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 8.3 | -8.42 | 1 | 8 | 0 | 79 | 368.441 | 4 | ↓ |
