| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanamide (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) | 1.31 | 3.55 | -45.58 | 4 | 5 | 1 | 69 | 290.387 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.47 | -9.02 | 3 | 5 | 0 | 68 | 289.379 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 2.38 | -43.07 | 4 | 5 | 1 | 72 | 290.387 | 6 | ↓ |
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)