In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2006 | 24 | Yes |
Popular Name: 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)carbonylethyl]purine-2,6-dione 1,3-dimethyl-7-[2-(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) | -0.42 | 0.36 | -52.57 | 1 | 9 | 1 | 86 | 335.388 | 3 | ↓ |