| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 40 | No |
Popular Name: CDDO-Im; Oleana-1,9(11)-dien-28-oic acid imidazolide, 2-cyano-3,12-dioxo- CDDO-Im; Oleana-1,9(11)-dien-28-…
| 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) | 5.45 | 14.73 | -21.64 | 0 | 6 | 0 | 93 | 541.736 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.45 | 6.83 | -63.4 | 1 | 6 | 1 | 94 | 542.744 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-7-O | Mus Musculus (cluster #7 Of 9), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80418-3-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other | Other | 1 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 0.1 | 0.35 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 0.6 | 0.32 | Functional ≤ 10μM |
