| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 3-[4-[3-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[3-(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) | 1.23 | 6.94 | -106.94 | 4 | 4 | 2 | 48 | 304.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 5.13 | -44.83 | 3 | 4 | 1 | 47 | 303.352 | 5 | ↓ |
