| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: (2S)-2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(cyclopropylamino)acetonitrile (2S)-2-(9-chloro-3,4-dihydro-2H-…
| 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) | 2.41 | 5.72 | -8.77 | 1 | 4 | 0 | 54 | 278.739 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 6.71 | -50.87 | 2 | 4 | 1 | 59 | 279.747 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
