| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 25 | Yes |
Popular Name: 4-(difluoromethyl)-2-[2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-6-one 4-(difluoromethyl)-2-[2-[(4-meth…
| 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) | 2.49 | 7.02 | -39.36 | 2 | 5 | 1 | 53 | 349.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.95 | 5.36 | -38.17 | 1 | 5 | 0 | 57 | 348.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 10.11 | -115.42 | 3 | 5 | 2 | 55 | 350.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 8.92 | -41.82 | 2 | 5 | 1 | 53 | 349.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(1,4-diazepan-1-ylmethyl)phenyl]-1H-pyrimidin-6-one](http://zinc12.docking.org/img/rings/606823.gif)