In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 22 | Yes |
Popular Name: (2S)-2-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]butanoic (2S)-2-[3-(3-fluorophenyl)-6,7-d…
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) | 0.90 | 9.46 | -33.71 | 1 | 5 | 0 | 71 | 304.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 7.39 | -43.56 | 0 | 5 | -1 | 69 | 303.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.