| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 33 | Yes |
Popular Name: 3,7-dimethyl-1-[3-[4-[3-(p-tolylsulfanyl)propyl]piperazin-1-yl]propyl]purine-2,6-dione 3,7-dimethyl-1-[3-[4-[3-(p-tolyl…
| 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) | 3.03 | 13.88 | -44.18 | 1 | 8 | 1 | 70 | 471.651 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 11.57 | -14.31 | 0 | 8 | 0 | 68 | 470.643 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 13.88 | -48.35 | 1 | 8 | 1 | 70 | 471.651 | 9 | ↓ |
