| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 22 | Yes |
Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…
| 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) | 1.36 | 3.7 | -12.07 | 1 | 5 | 0 | 52 | 308.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.94 | -49.18 | 2 | 5 | 1 | 53 | 309.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
