| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2005 | 27 | Yes |
Popular Name: 7-benzyl-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-purine-2,6-dione 7-benzyl-1,3-dimethyl-8-(4-methy…
| 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) | 1.97 | 12.01 | -53.57 | 1 | 8 | 1 | 70 | 369.449 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 9.64 | -8.84 | 0 | 8 | 0 | 68 | 368.441 | 3 | ↓ |
