In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2008 | 24 | No |
Popular Name: 4-[(4Z)-4-[(2-hydroxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic 4-[(4Z)-4-[(2-hydroxyphenyl)meth…
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) | 2.70 | 7.09 | -58.53 | 1 | 6 | -1 | 95 | 321.312 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 7.48 | -95.48 | 0 | 6 | -2 | 98 | 320.304 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 7.86 | -96.24 | 0 | 6 | -2 | 98 | 320.304 | 3 | ↓ |