In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 27 | Yes |
Popular Name: 5-(6-ethylpyrimidin-4-yl)-3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-(6-ethylpyrimidin-4-yl)-3-(1-n…
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) | 4.17 | 12.67 | -12.04 | 0 | 5 | 0 | 55 | 356.429 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 13.06 | -39.26 | 1 | 5 | 1 | 56 | 357.437 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.