| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2014 | 41 | Yes |
Popular Name: Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate Disodium (3beta)-3-[(3-carboxyla…
Find On: PubMed — Wikipedia — Google
CAS Number: [7421-40-1]
| 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) | 5.60 | 17.08 | -121.27 | 0 | 7 | -2 | 124 | 568.751 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.60 | 15.1 | -56.68 | 1 | 7 | -1 | 121 | 569.759 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.