| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 30 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[4-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]ethanone 1-(azepan-1-yl)-2-[4-[2-(2,2,2-t…
| 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) | 1.60 | 6.23 | -19.16 | 0 | 7 | 0 | 66 | 428.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 8.38 | -53.5 | 1 | 7 | 1 | 67 | 429.463 | 6 | ↓ |
