| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (2S)-2-[[(4R)-4-ethylazepan-1-yl]methyl]-2-methyl-butan-1-amine (2S)-2-[[(4R)-4-ethylazepan-1-yl…
| 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) | 2.75 | 7.04 | -109.14 | 4 | 2 | 2 | 32 | 228.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 5.55 | -40.79 | 3 | 2 | 1 | 31 | 227.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 6.43 | -30.81 | 3 | 2 | 1 | 30 | 227.416 | 5 | ↓ |
