| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: N-[2-[(4R)-4-isopropylazepan-1-yl]ethyl]prop-2-en-1-amine N-[2-[(4R)-4-isopropylazepan-1-y…
| 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) | 3.34 | 8.3 | -114.24 | 3 | 2 | 2 | 21 | 226.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 6.41 | -36.22 | 2 | 2 | 1 | 20 | 225.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 6.93 | -33.21 | 2 | 2 | 1 | 16 | 225.4 | 6 | ↓ |
