| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 28 | Yes |
Popular Name: CI-958 CI-958
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113457-05-9 , 119221-49-7
119221-49-7; D06545; Sedoxantrone trihydrochloride (USAN)
| 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) | 2.99 | 5.5 | -104.97 | 6 | 6 | 2 | 82 | 399.564 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 3.18 | -63.74 | 5 | 6 | 1 | 81 | 398.556 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 71 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 71 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.