| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2008 | 26 | Yes |
Popular Name: 3-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]benzonitrile 3-[[4-[5-(trifluoromethyl)-2-pyr…
| 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) | 3.33 | 12.23 | -50.88 | 1 | 4 | 1 | 44 | 361.391 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 10.39 | -9.18 | 0 | 4 | 0 | 43 | 360.383 | 4 | ↓ |
