| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 27 | Yes |
Popular Name: 3,7-dimethyl-1-(3-quinazolin-4-ylsulfanylpropyl)purine-2,6-dione 3,7-dimethyl-1-(3-quinazolin-4-y…
| 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) | 2.28 | 11.2 | -16.13 | 0 | 8 | 0 | 88 | 382.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 11.69 | -52.62 | 1 | 8 | 1 | 89 | 383.457 | 5 | ↓ |
