| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(5-chloro-2-hydroxy-phenyl)methylamino]azepan-2-one (3S)-3-[(5-chloro-2-hydroxy-phen…
| 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) | 2.09 | 2.97 | -44.18 | 4 | 4 | 1 | 66 | 269.752 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 3.12 | -37 | 2 | 4 | -1 | 64 | 267.736 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 2.42 | -9.53 | 3 | 4 | 0 | 61 | 268.744 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 3.56 | -26.46 | 3 | 4 | 0 | 69 | 268.744 | 3 | ↓ |
