| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 29 | No |
Popular Name: Cudraxanthone L Cudraxanthone L
Find On: PubMed — Wikipedia — Google
CAS Number: [135541-40-1]
| 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) | 5.99 | 4.7 | -10.72 | 4 | 6 | 0 | 111 | 396.439 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH-1-B | Sialidase (cluster #1 Of 1), Bacterial | Bacteria | 228 | 0.32 | Binding ≤ 10μM |
| Z102352-1-O | Plasma (cluster #1 Of 3), Other | Other | 3800 | 0.26 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 4720 | 0.26 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 3150 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH_CLOPE | P10481 | Sialidase, Clope | 138 | 0.33 | Binding ≤ 1μM |
| NANH_CLOPE | P10481 | Sialidase, Clope | 138 | 0.33 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 3150 | 0.27 | Functional ≤ 10μM |
| Z102352 | Z102352 | Plasma | 3800 | 0.26 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 4720 | 0.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
