| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2013 | 14 | No |
Popular Name: 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester 3,4-Dihydroxy-5-methoxybenzoic a…
Find On: PubMed — Wikipedia — Google
CAS Number: 3934-86-9
| 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) | 0.64 | -2.24 | -11.11 | 3 | 5 | 0 | 87 | 198.174 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.