| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (3S)-N-methyl-3-[(4R)-4-propylazepan-1-yl]butan-1-amine (3S)-N-methyl-3-[(4R)-4-propylaz…
| 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) | 3.39 | 8.34 | -102.53 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.9 | -30.14 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.8 | -36.58 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
