| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 21 | No |
Popular Name: 4-(3-Nitro-phenylazo)-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one 4-(3-Nitro-phenylazo)-5-trifluor…
| 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) | 2.68 | 1.9 | -39.88 | 1 | 8 | -1 | 119 | 300.176 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 1.35 | -115.33 | 0 | 8 | -2 | 121 | 299.168 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 0.48 | -102.62 | 0 | 8 | -2 | 121 | 299.168 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 3.53 | -8.35 | 2 | 8 | 0 | 116 | 301.184 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 0.68 | -9.57 | 2 | 8 | 0 | 119 | 301.184 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 3.38 | -17.84 | 2 | 8 | 0 | 119 | 301.184 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | -0.02 | -9.08 | 2 | 8 | 0 | 119 | 301.184 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 1.98 | -15.23 | 2 | 8 | 0 | 119 | 301.184 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 253 | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
