| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 16 | Yes |
Popular Name: 1-[(6-chloro-3-pyridyl)methyl]-4-methyl-1,4-diazepane 1-[(6-chloro-3-pyridyl)methyl]-4…
| 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) | 1.69 | 5.05 | -40.94 | 1 | 3 | 1 | 21 | 240.758 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 2.99 | -4.35 | 0 | 3 | 0 | 19 | 239.75 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 5.23 | -37.65 | 1 | 3 | 1 | 21 | 240.758 | 2 | ↓ |
