| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 22 | Yes |
Popular Name: Caffeic acid, 3-methyl phenethyl ester Caffeic acid, 3-methyl phenethyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 71835-85-3
| 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) | 3.33 | 8.6 | -9.53 | 1 | 4 | 0 | 56 | 300.354 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.