| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone 2-(isopropylamino)-1-[(2S)-2-(1-…
| 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) | 2.34 | 8.39 | -39.54 | 2 | 4 | 1 | 42 | 278.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 7.18 | -8.15 | 1 | 4 | 0 | 37 | 277.412 | 4 | ↓ |
