In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 7th, 2006 | 27 | No |
Popular Name: 2-(4-aza-1-azoniabicyclo[2.2.2]oct-1-yl)-N-(2-benzoyl-4-chloro-phenyl)-acetamide 2-(4-aza-1-azoniabicyclo[2.2.2]o…
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) | -1.02 | 9.13 | -40.15 | 1 | 5 | 1 | 49 | 384.887 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.83 | 9.03 | -27.24 | 0 | 5 | 0 | 56 | 383.879 | 5 | ↓ |