| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[[(1R)-1-(4-butylphenyl)ethyl]amino]azepan-2-one (3S)-3-[[(1R)-1-(4-butylphenyl)e…
| 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) | 3.92 | 8.38 | -39.25 | 3 | 3 | 1 | 46 | 289.443 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 8.48 | -7.92 | 2 | 3 | 0 | 41 | 288.435 | 6 | ↓ |
