| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2008 | 21 | Yes |
Popular Name: 2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]acetamide 2-[4-[5-(trifluoromethyl)-2-pyri…
| 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) | 0.93 | 5.16 | -45.72 | 3 | 5 | 1 | 64 | 303.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 1.7 | -10.68 | 2 | 5 | 0 | 62 | 302.3 | 4 | ↓ |
