| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 25 | Yes |
Popular Name: 1-(dimethylaminomethylBLAHyl)-N,N-dimethyl-methanamine 1-(dimethylaminomethylBLAHyl)-N,…
None
| 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) | 2.34 | 11.33 | -189.94 | 4 | 6 | 3 | 49 | 346.499 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100272-1-O | Internal Ribosome Entry Site (IRES) (cluster #1 Of 1), Other | Other | 760 | 0.34 | Binding ≤ 10μM |
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 5), Other | Other | 5400 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100272 | Z100272 | Internal Ribosome Entry Site (IRES) | 260 | 0.37 | Binding ≤ 1μM |
| Z100272 | Z100272 | Internal Ribosome Entry Site (IRES) | 260 | 0.37 | Binding ≤ 10μM |
| Z50643 | Z50643 | Hepatitis C Virus | 5400 | 0.29 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
