| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 22 | No |
Popular Name: (4aS)-3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thioxo-4aH-quinazoline-7-carboxylic (4aS)-3-[2-(1H-imidazol-5-yl)eth…
| 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) | -0.13 | 8.27 | -64.01 | 2 | 7 | 0 | 103 | 316.342 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 7.78 | -45.9 | 1 | 7 | -1 | 101 | 315.334 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(1H-imidazol-5-yl)ethyl]-2-thioxo-4aH-quinazolin-4-one](http://zinc12.docking.org/img/rings/101012.gif)