In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2010 | 25 | Yes |
Popular Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-oxo-5-phenoxy-pyridine-3-carboxylic 1-[[(2R)-1-ethylpyrrolidin-2-yl]…
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 | 12.52 | -90.39 | 1 | 6 | 0 | 76 | 342.395 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.83 | 10.43 | -84.2 | 2 | 6 | 1 | 78 | 343.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.