In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 28 | Yes |
Popular Name: 1-[(2S)-2-(4-chlorophenyl)-3-(4-pyridyl)propanoyl]-2,3-dihydroquinolin-4-one 1-[(2S)-2-(4-chlorophenyl)-3-(4-…
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) | 4.23 | 11.79 | -14.82 | 0 | 4 | 0 | 50 | 390.87 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 12.31 | -48.73 | 1 | 4 | 1 | 52 | 391.878 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.