| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[2-(1,4-diazepan-1-yl)ethyl]-1…
| 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) | 1.85 | 5.43 | -38.77 | 2 | 3 | 1 | 23 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 6.28 | -36.21 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 7.49 | -90.91 | 3 | 3 | 2 | 24 | 275.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(1,4-diazepan-1-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine](http://zinc12.docking.org/img/rings/315326.gif)