| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 23 | Yes |
Popular Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propyl]purine-2,6-dione 1,3-dimethyl-7-[3-(4-methylpiper…
| 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) | 0.26 | 7.52 | -43.06 | 1 | 8 | 1 | 70 | 321.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 5.05 | -12.55 | 0 | 8 | 0 | 68 | 320.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 7.38 | -48.48 | 1 | 8 | 1 | 70 | 321.405 | 4 | ↓ |
