| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 15 | Yes |
Popular Name: (2R,3S)-3-[(4S)-4-isopropylazepan-1-yl]butan-2-amine (2R,3S)-3-[(4S)-4-isopropylazepa…
| 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) | 2.80 | 6 | -108.42 | 4 | 2 | 2 | 32 | 214.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 5.69 | -29.39 | 3 | 2 | 1 | 30 | 213.389 | 3 | ↓ |
