| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 26 | No |
Popular Name: (5E)-1-(4-bromophenyl)-2,6-diketo-5-vanillylidene-pyrimidin-4-olate (5E)-1-(4-bromophenyl)-2,6-diket…
| 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) | 2.24 | 2.37 | -41.93 | 1 | 7 | -1 | 104 | 416.207 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 3.29 | -105 | 0 | 7 | -2 | 107 | 415.199 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 3.18 | -102.73 | 0 | 7 | -2 | 107 | 415.199 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 4.8 | -10.99 | 2 | 7 | 0 | 101 | 417.215 | 3 | ↓ |
