| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 29 | No |
Popular Name: (5E)-5-(5-bromo-2-hydroxy-3-methoxy-benzylidene)-2,6-diketo-1-p-cumenyl-pyrimidin-4-olate (5E)-5-(5-bromo-2-hydroxy-3-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) | 3.91 | 4.21 | -48.83 | 1 | 7 | -1 | 104 | 458.288 | 4 | ↓ |
| Ref Reference (pH 7) | 3.91 | 4.3 | -43.84 | 1 | 7 | -1 | 104 | 458.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 5.2 | -107.29 | 0 | 7 | -2 | 107 | 457.28 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 5.14 | -106.33 | 0 | 7 | -2 | 107 | 457.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 6.73 | -10.8 | 2 | 7 | 0 | 101 | 459.296 | 4 | ↓ |
