| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 26 | Yes |
Popular Name: 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic 3-[4-[(2-chloro-4-fluoro-phenyl)…
| 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) | 1.62 | 7.27 | -64.12 | 0 | 7 | -1 | 82 | 379.799 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 9.55 | -82.65 | 1 | 7 | 0 | 83 | 380.807 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
