| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 24 | 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) | -2.19 | 7.92 | -37.73 | 3 | 6 | 1 | 70 | 344.464 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.14 | -41.32 | 1 | 6 | -1 | 72 | 342.448 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-methylene-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-1-ium-4-one](http://zinc12.docking.org/img/rings/8029.gif)
![3-cyclopentyl-8-(1H-pyridin-2-ylidene)-7-thioxo-2,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-8-ium-5-one](http://zinc12.docking.org/img/rings/94812.gif)