| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 23 | Yes |
Popular Name: 2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one 2-[(4-oxo-3,5,6,7-tetrahydrocycl…
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| 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) | 2.56 | 5.95 | -16.41 | 2 | 6 | 0 | 92 | 326.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 1.55 | -112.29 | 0 | 6 | -2 | 98 | 324.365 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 2.93 | -59.52 | 1 | 6 | -1 | 95 | 325.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 3.98 | -51.05 | 1 | 6 | -1 | 95 | 325.373 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/19106.gif)
![2-[[(4-keto-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]-3H-quinazolin-4-one](http://zinc12.docking.org/img/rings/554166.gif)