| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 21 | No |
| 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) | -0.79 | 6.84 | -18.05 | 2 | 7 | 0 | 85 | 307.379 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | 7.35 | -47.01 | 3 | 7 | 1 | 86 | 308.387 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | 7.35 | -46.56 | 3 | 7 | 1 | 86 | 308.387 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/58245.gif)