| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (6S,7S)-6-amino-1-methyl-7-[2-(trifluoromethyl)phenyl]azepan-2-one (6S,7S)-6-amino-1-methyl-7-[2-(t…
| 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) | 1.86 | 4.93 | -65.95 | 3 | 3 | 1 | 48 | 287.305 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 5.36 | -6.48 | 2 | 3 | 0 | 46 | 286.297 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
