| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (3S)-3-[(4S)-4-isopropylazepan-1-yl]-N-methyl-butan-1-amine (3S)-3-[(4S)-4-isopropylazepan-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) | 3.65 | 7.93 | -101.45 | 3 | 2 | 2 | 21 | 228.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 6.49 | -30.3 | 2 | 2 | 1 | 16 | 227.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 6.23 | -36.13 | 2 | 2 | 1 | 20 | 227.416 | 5 | ↓ |
