| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 22 | Yes |
Popular Name: (2R)-1-[[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[[3-(3-fluorophenyl)-1H-p…
None
| 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) | 1.43 | 5.27 | -49.71 | 3 | 5 | 1 | 62 | 303.361 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.25 | -11.7 | 2 | 5 | 0 | 61 | 302.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one](http://zinc12.docking.org/img/rings/579209.gif)