| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one (3S)-1-[(1-cyclohexylpyrazol-3-y…
| 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) | 1.90 | 6.9 | -44.94 | 2 | 5 | 1 | 55 | 291.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 5.67 | -12.62 | 1 | 5 | 0 | 50 | 290.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[(1-cyclohexylpyrazol-3-yl)methyl]-1,4-diazepan-2-one](http://zinc12.docking.org/img/rings/536869.gif)