| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (6S,7R)-6-amino-1-methyl-7-(3,4,5-trifluorophenyl)azepan-2-one (6S,7R)-6-amino-1-methyl-7-(3,4,…
| 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) | 1.36 | 4.24 | -61.16 | 3 | 3 | 1 | 48 | 273.278 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 4.75 | -12.32 | 2 | 3 | 0 | 46 | 272.27 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
