| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (4S)-4-isopropyl-1-[[(2S)-pyrrolidin-2-yl]methyl]azepane (4S)-4-isopropyl-1-[[(2S)-pyrrol…
| 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 | 8.1 | -111.42 | 3 | 2 | 2 | 21 | 226.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 7.03 | -29.4 | 2 | 2 | 1 | 16 | 225.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 6.32 | -32.63 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |
