| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: 4-[2-(1,4-diazepan-1-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[2-(1,4-diazepan-1-yl)ethyl]-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) | 1.21 | 3.65 | -40.46 | 2 | 4 | 1 | 32 | 276.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 2.44 | -4.06 | 1 | 4 | 0 | 28 | 275.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 4.51 | -37.36 | 2 | 4 | 1 | 29 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 5.73 | -92.5 | 3 | 4 | 2 | 34 | 277.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[2-(1,4-diazepan-1-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine](http://zinc12.docking.org/img/rings/333656.gif)