| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 24 | Yes |
Popular Name: 3-[(4-cyano-2-fluoro-phenyl)methyl-ethyl-amino]-N-phenyl-propanamide 3-[(4-cyano-2-fluoro-phenyl)meth…
| 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) | 3.04 | 8.09 | -10.33 | 1 | 4 | 0 | 56 | 325.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 10.23 | -50.19 | 2 | 4 | 1 | 57 | 326.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
