| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-propan-1-ol (2S)-2-(cyclopropylamino)-3-(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) | 1.56 | 3.77 | -32 | 3 | 4 | 1 | 49 | 277.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 3.08 | -4.64 | 2 | 4 | 0 | 45 | 276.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.91 | -30.93 | 3 | 4 | 1 | 46 | 277.388 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 5.94 | -104.86 | 4 | 4 | 2 | 51 | 278.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Cyclopropyl-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]amine](http://zinc12.docking.org/img/rings/333300.gif)