| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 22 | No |
Popular Name: 3-[2-(azepan-1-yl)ethylamino]-4-phenyl-cyclobut-3-ene-1,2-dione 3-[2-(azepan-1-yl)ethylamino]-4-…
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) | 1.96 | 8 | -39.68 | 1 | 4 | 0 | 51 | 299.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.92 | -6.03 | 0 | 4 | 0 | 50 | 298.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.9 | -6.88 | 0 | 4 | 0 | 50 | 298.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 7.98 | -51.87 | 1 | 4 | 0 | 51 | 299.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(azepan-1-yl)ethylimino]-4-phenyl-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178022.gif)