In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 24 | Yes |
Popular Name: N-[(1R)-1-(4-pyridyl)but-3-enyl]-2-[4-(trifluoromethyl)phenyl]acetamide N-[(1R)-1-(4-pyridyl)but-3-enyl]…
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) | 2.42 | 8.52 | -11.35 | 1 | 3 | 0 | 42 | 334.341 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 8.98 | -47.29 | 2 | 3 | 1 | 43 | 335.349 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.