| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 27 | Yes |
Popular Name: (6-methyl-3-pyridyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone (6-methyl-3-pyridyl)-[4-[[4-(tri…
| 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) | 2.18 | 10.83 | -52.01 | 1 | 4 | 1 | 38 | 378.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 8.95 | -11.86 | 0 | 4 | 0 | 36 | 377.41 | 4 | ↓ |
