| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2010 | 24 | Yes |
Popular Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-isopropyl-propanamide 3-[4-[2-(azepan-1-yl)-2-oxo-ethy…
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| 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) | 1.05 | 6.14 | -45.24 | 2 | 6 | 1 | 57 | 339.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 6.21 | -44.74 | 2 | 6 | 1 | 57 | 339.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 3.94 | -14.42 | 1 | 6 | 0 | 56 | 338.496 | 6 | ↓ |
