In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 30 | Yes |
Popular Name: [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone [4-hydroxy-1-[2-(trifluoromethyl…
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) | 2.80 | 7.74 | -72.42 | 1 | 7 | 0 | 79 | 417.391 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 7.47 | -64.04 | 0 | 7 | -1 | 77 | 416.383 | 4 | ↓ |