| 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) | -1.42 | 2 | -49.99 | 4 | 7 | 1 | 87 | 312.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.42 | 0.63 | -9.41 | 3 | 7 | 0 | 82 | 311.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.42 | 0.64 | -9.66 | 3 | 7 | 0 | 82 | 311.411 | 5 | ↓ |
![5-[(2-piperazinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/57228.gif)
