| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: 7-methoxy-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carbonitrile 7-methoxy-4,5-dihydro-2H-[1]benz…
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| 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) | 1.77 | 4.39 | -8.2 | 1 | 5 | 0 | 71 | 241.25 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.25 | -39.32 | 0 | 5 | -1 | 69 | 240.242 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole](http://zinc12.docking.org/img/rings/135719.gif)