| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2008 | 16 | No |
Popular Name: N/A N/A
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1009816-48-1 , [100981-64-4]
| 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) | -1.14 | -6.33 | -10.84 | 4 | 6 | 0 | 94 | 248.304 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NCOAT-1-E | Bifunctional Protein NCOAT (cluster #1 Of 1), Eukaryotic | Eukaryotes | 21 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NCOAT_HUMAN | O60502 | Bifunctional Protein NCOAT, Human | 21 | 0.67 | Binding ≤ 1μM |
| NCOAT_HUMAN | O60502 | Bifunctional Protein NCOAT, Human | 21 | 0.67 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.