In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 19 | No |
Popular Name: (4Z)-4-[(4-bromophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazol-3-one (4Z)-4-[(4-bromophenyl)hydrazono…
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) | 3.56 | 1.82 | -36.56 | 1 | 5 | -1 | 73 | 334.075 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 3.45 | -4.24 | 2 | 5 | 0 | 70 | 335.083 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 211 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.