| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 26 | Yes |
Popular Name: azepan-1-yl-[6-[(2R)-2-(4-pyridyl)pyrrolidin-1-yl]-3-pyridyl]methanone azepan-1-yl-[6-[(2R)-2-(4-pyridy…
| 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) | 2.22 | 10.92 | -45.33 | 1 | 5 | 1 | 51 | 351.474 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 10.46 | -12.65 | 0 | 5 | 0 | 49 | 350.466 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 11.44 | -92.31 | 2 | 5 | 2 | 52 | 352.482 | 3 | ↓ |
