| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(diethylamino)acetonitrile (2S)-2-(6-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) | 3.04 | 6.17 | -7.43 | 0 | 4 | 0 | 45 | 294.782 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 8.2 | -42.96 | 1 | 4 | 1 | 47 | 295.79 | 4 | ↓ |
