| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 25 | No |
Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-cyano-prop-2-enamide N-(3-chloro-4-fluoro-phenyl)-3-(…
| 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) | 4.13 | 6.06 | -12.46 | 2 | 5 | 0 | 82 | 381.19 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 6.99 | -45.71 | 1 | 5 | -1 | 85 | 380.182 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 5.31 | -86.1 | 0 | 5 | -2 | 92 | 379.174 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 4.39 | -35.46 | 1 | 5 | -1 | 89 | 380.182 | 4 | ↓ |
