| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one (3S)-1-[(1-cyclopentylpyrazol-3-…
| 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) | 1.40 | 6.3 | -44.9 | 2 | 5 | 1 | 55 | 277.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 5.08 | -12.71 | 1 | 5 | 0 | 50 | 276.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-2-one](http://zinc12.docking.org/img/rings/536870.gif)