In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | Yes |
Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-fluoro-4-pyridyl)methanone [(3R)-3-(diethylamino)pyrrolidin…
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) | 1.02 | 5.84 | -48.94 | 1 | 4 | 1 | 38 | 266.34 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 3.71 | -11.62 | 0 | 4 | 0 | 36 | 265.332 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.