| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2008 | 31 | Yes |
Popular Name: 3,7-dimethyl-1-[3-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropyl]purine-2,6-dione 3,7-dimethyl-1-[3-(4-oxo-3-propy…
| 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) | 2.87 | 12.8 | -17.6 | 0 | 9 | 0 | 97 | 440.529 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 13.29 | -55.29 | 1 | 9 | 1 | 98 | 441.537 | 7 | ↓ |
