| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (2S)-N-[2-[(4S)-4-ethylazepan-1-yl]ethyl]butan-2-amine (2S)-N-[2-[(4S)-4-ethylazepan-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) | 3.44 | 8.54 | -109.94 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 7.5 | -31.83 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 6.47 | -34.48 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
