| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2005 | 20 | No |
Popular Name: 1-(2-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid 1-(2-methyl-4-sulfophenyl)-5-oxo…
| 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) | -1.98 | -5.59 | -88.78 | 0 | 8 | -2 | 130 | 296.26 | 3 | ↓ |
| 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) | -3.77 | -1.96 | -84.8 | 2 | 9 | -2 | 156 | 297.248 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.77 | -1.65 | -77.79 | 3 | 9 | -1 | 158 | 298.256 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.77 | -2.63 | -85.42 | 3 | 9 | -1 | 158 | 298.256 | 3 | ↓ |
