| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2010 | 25 | Yes |
Popular Name: (2S)-2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-butyl-propanamide (2S)-2-[4-[2-(azepan-1-yl)-2-oxo…
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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) | 1.87 | 4.53 | -13.89 | 1 | 6 | 0 | 56 | 352.523 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 6.72 | -41.57 | 2 | 6 | 1 | 57 | 353.531 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 6.78 | -36.02 | 2 | 6 | 1 | 57 | 353.531 | 7 | ↓ |
