| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 15 | Yes |
Popular Name: 3-[(4S)-4-isopropylazepan-1-yl]-N-methyl-propan-1-amine 3-[(4S)-4-isopropylazepan-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) | 3.32 | 7.62 | -100 | 3 | 2 | 2 | 21 | 214.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 6.18 | -32.52 | 2 | 2 | 1 | 16 | 213.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 5.54 | -36.71 | 2 | 2 | 1 | 20 | 213.389 | 5 | ↓ |
