| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 23 | No |
Popular Name: 2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-N-(methylcarbamoyl)acetamide 2-[4-(4-methoxypyrimidin-2-yl)-1…
| 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) | 0.57 | 5.19 | -52.55 | 3 | 9 | 1 | 101 | 323.377 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 3.49 | -21.12 | 2 | 9 | 0 | 100 | 322.369 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 5.49 | -105.79 | 4 | 9 | 2 | 102 | 324.385 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
