| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 32 | 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) | 2.22 | 11.3 | -58.02 | 3 | 7 | 1 | 81 | 451.572 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 9.06 | -14.2 | 2 | 7 | 0 | 79 | 450.564 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/56881.gif)