| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 28 | 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) | -0.09 | 4.68 | -52.86 | 4 | 8 | 1 | 96 | 404.516 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 3.32 | -12.07 | 3 | 8 | 0 | 91 | 403.508 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-phenyl-5-[(2-piperazinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/56581.gif)