| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 30 | Yes |
Popular Name: Bis(2-ethylhexyl)sebacate Bis(2-ethylhexyl)sebacate
Find On: PubMed — Wikipedia — Google
CAS Number: [122-62-3]
| 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) | 8.80 | 17.77 | -103.63 | 0 | 4 | -2 | 80 | 424.666 | 21 | ↓ |
| Lo Low (pH 4.5-6) | 8.80 | 15.81 | -48.22 | 1 | 4 | -1 | 77 | 425.674 | 21 | ↓ |
| Lo Low (pH 4.5-6) | 8.80 | 15.65 | -52.41 | 1 | 4 | -1 | 77 | 425.674 | 21 | ↓ |
No pre-computed analogs available. Try a structural similarity search.