| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 24 | Yes |
Popular Name: 3-(5-methyl-2-pyridyl)-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-one 3-(5-methyl-2-pyridyl)-2-(2,2,2-…
| 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) | 4.15 | 9.5 | -13.22 | 0 | 4 | 0 | 48 | 351.353 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.15 | 9.8 | -33.27 | 1 | 4 | 1 | 49 | 352.361 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
