| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanenitrile (2S)-2-(cyclopropylamino)-4-(3,5…
| 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) | 1.80 | 7.02 | -46.33 | 2 | 4 | 1 | 49 | 272.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 4.94 | -7.8 | 1 | 4 | 0 | 48 | 271.364 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Cyclopropyl-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]amine](http://zinc12.docking.org/img/rings/333274.gif)