| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 20 | No |
Popular Name: 3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-thioxo-1H-quinazolin-4-one 3-[[(3R)-1,1-dioxothiolan-3-yl]m…
| 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) | 0.94 | 4.17 | -17.2 | 1 | 5 | 0 | 72 | 310.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 3.84 | -40.16 | 0 | 5 | -1 | 69 | 309.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(1,1-diketothiolan-3-yl)methyl]-2-thioxo-1H-quinazolin-4-one](http://zinc12.docking.org/img/rings/13494.gif)