| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 21 | No |
Popular Name: 2-(azepan-1-ylmethyl)-1-(4-nitrophenyl)prop-2-en-1-one 2-(azepan-1-ylmethyl)-1-(4-nitro…
| 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) | 3.44 | 10.43 | -46.92 | 1 | 5 | 1 | 67 | 289.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.38 | -7.98 | 0 | 5 | 0 | 66 | 288.347 | 5 | ↓ |
