| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 23 | Yes |
Popular Name: 3-chloro-N-[2-(2-cyano-3-fluoro-anilino)ethyl]-4-hydroxy-benzamide 3-chloro-N-[2-(2-cyano-3-fluoro-…
| 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) | 2.82 | 3.7 | -20.14 | 3 | 5 | 0 | 85 | 333.75 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 4.47 | -47.97 | 2 | 5 | -1 | 88 | 332.742 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
