| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 25 | No |
Popular Name: 7-acetonyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione 7-acetonyl-1,3-dimethyl-8-[(4-me…
| 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) | -0.59 | 6.2 | -55.92 | 1 | 9 | 1 | 87 | 349.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 6.03 | -53.49 | 1 | 9 | 1 | 87 | 349.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 3.73 | -14.13 | 0 | 9 | 0 | 85 | 348.407 | 4 | ↓ |
