| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 24th, 2010 | 29 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-(2,2,2-trifl…
| 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) | 1.20 | 8.13 | -45.69 | 1 | 7 | 1 | 67 | 417.452 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 6.36 | -19.63 | 0 | 7 | 0 | 66 | 416.444 | 8 | ↓ |
