| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 16 | Yes |
Popular Name: DibutylFumarate DibutylFumarate
Find On: PubMed — Wikipedia — Google
CAS Number: 105-75-9
| 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) | 3.08 | 9.62 | -136.27 | 0 | 4 | -2 | 80 | 226.272 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 7.49 | -49.3 | 1 | 4 | -1 | 77 | 227.28 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.