In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 23 | Yes |
Popular Name: 2-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[(1R)-2-amino-1-(4-fluoropheny…
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) | 2.45 | 5.72 | -54.85 | 2 | 5 | -1 | 96 | 333.364 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.