In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 29 | No |
Popular Name: 4-[(4Z)-4-[(2-hydroxy-5-iodo-3-methoxy-phenyl)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoic 4-[(4Z)-4-[(2-hydroxy-5-iodo-3-m…
None
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) | 4.42 | 9.42 | -55.74 | 1 | 7 | -1 | 104 | 505.288 | 6 | ↓ |
Ref Reference (pH 7) | 4.42 | 9.78 | -58.86 | 1 | 7 | -1 | 104 | 505.288 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.42 | 10.7 | -95.97 | 0 | 7 | -2 | 107 | 504.28 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.42 | 10.34 | -92.54 | 0 | 7 | -2 | 107 | 504.28 | 6 | ↓ |