| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(3,4-dimethoxyph…
| 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) | 1.70 | 4.84 | -45.34 | 3 | 5 | 1 | 64 | 293.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 4.48 | -11.51 | 2 | 5 | 0 | 60 | 292.379 | 5 | ↓ |
