| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2009 | 27 | No |
Popular Name: (5E)-5-[(3-bromo-4,5-dihydroxy-phenyl)methylene]-2-[3-(trifluoromethyl)anilino]thiazol-4-one (5E)-5-[(3-bromo-4,5-dihydroxy-p…
| 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) | 5.51 | 5.27 | -12.46 | 3 | 5 | 0 | 86 | 459.243 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 5.64 | -97.93 | 1 | 5 | -2 | 87 | 457.227 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 5.63 | -110.32 | 1 | 5 | -2 | 87 | 457.227 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 6.18 | -45.35 | 2 | 5 | -1 | 89 | 458.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 6.18 | -50.12 | 2 | 5 | -1 | 89 | 458.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 5.78 | -46.47 | 2 | 5 | -1 | 89 | 458.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.97 | 3.07 | -44.69 | 2 | 5 | -1 | 89 | 458.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.97 | 3.75 | -41.22 | 2 | 5 | -1 | 89 | 458.235 | 3 | ↓ |
