| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2009 | 24 | Yes |
Popular Name: 1-[4-[5-(3-dimethylaminoprop-1-ynyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[5-(3-dimethylaminoprop-1-y…
| 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) | -0.60 | 5.36 | -16.79 | 0 | 6 | 0 | 57 | 328.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 7.92 | -52.24 | 1 | 6 | 1 | 58 | 329.424 | 2 | ↓ |
