| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 25 | Yes |
Popular Name: [2-(1,4-diazepan-1-yl)-3-pyridyl]-[(5S)-3,3,5-trimethylazepan-1-yl]methanone [2-(1,4-diazepan-1-yl)-3-pyridyl…
| 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) | 1.93 | 9.39 | -38.15 | 2 | 5 | 1 | 53 | 345.511 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 9.92 | -100.43 | 3 | 5 | 2 | 54 | 346.519 | 2 | ↓ |
