| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 18 | Yes |
Popular Name: 3-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methylamino]propanenitrile 3-[(9-chloro-3,4-dihydro-2H-1,5-…
| 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) | 1.54 | 4.88 | -10.6 | 1 | 4 | 0 | 54 | 266.728 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.23 | -63.42 | 2 | 4 | 1 | 59 | 267.736 | 4 | ↓ |
