In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2010 | 20 | Yes |
Popular Name: 1-(2,4-dimethylphenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid 1-(2,4-dimethylphenyl)-4-(2-hydr…
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) | 1.43 | 4.58 | -43.93 | 2 | 6 | -1 | 98 | 275.284 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 3.27 | -120.07 | 1 | 6 | -2 | 101 | 274.276 | 4 | ↓ |