| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 26 | Yes |
Popular Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide 2-[4-[[3-(trifluoromethyl)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) | 2.07 | 7.3 | -43.81 | 3 | 5 | 1 | 64 | 365.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 4.98 | -14.36 | 2 | 5 | 0 | 62 | 364.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
