| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 32 | Yes |
Popular Name: 3,7-dimethyl-1-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione 3,7-dimethyl-1-[3-[4-(3-phenylsu…
| 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) | 2.58 | 13.21 | -44.13 | 1 | 8 | 1 | 70 | 457.624 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 10.89 | -14.34 | 0 | 8 | 0 | 68 | 456.616 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 13.21 | -48.46 | 1 | 8 | 1 | 70 | 457.624 | 9 | ↓ |
