| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 23 | Yes |
Popular Name: 2-[[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]methyl]-3H-quinazolin-4-one 2-[[methyl-[3-(2,2,2-trifluoroet…
| 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) | 2.07 | 4.84 | -24.31 | 1 | 5 | 0 | 58 | 329.322 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 7.38 | -54.9 | 2 | 5 | 1 | 59 | 330.33 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 4.59 | -50.85 | 1 | 5 | 0 | 63 | 329.322 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
