| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | No |
Popular Name: 3-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-sulfanyl-quinazolin-4-one 3-[(1R)-2-imidazol-1-yl-1-methyl…
| 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) | 1.08 | 9.84 | -31.53 | 2 | 5 | 1 | 57 | 287.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 9.04 | -41.76 | 0 | 5 | -1 | 53 | 285.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 9.33 | -13.04 | 1 | 5 | 0 | 56 | 286.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 9.55 | -30.03 | 1 | 5 | 0 | 54 | 286.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
