| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 21 | Yes |
Popular Name: 3-[4-(methylsulfanyl)benzyl]-2,4(1H,3H)-quinazolinedione 3-[4-(methylsulfanyl)benzyl]-2,4…
| 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) | 2.73 | 8.02 | -9.44 | 1 | 4 | 0 | 55 | 298.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.21 | -41.77 | 0 | 4 | -1 | 58 | 297.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
