| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 22 | Yes |
Popular Name: 2-amino-1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]-1-piperidyl]-2-methyl-propan-1-one 2-amino-1-[(3S)-3-[2-(3,4-difluo…
| 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) | 3.23 | 6.94 | -44.6 | 3 | 3 | 1 | 48 | 311.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 7.02 | -10.85 | 2 | 3 | 0 | 46 | 310.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
