| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2010 | 20 | Yes |
Popular Name: 5-Bromotubercidin 5-Bromotubercidin
Find On: PubMed — Wikipedia — Google
CAS Number: [21193-80-6]
| 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) | -0.19 | -2.9 | -12.43 | 5 | 8 | 0 | 127 | 345.153 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 8.09 | -93.83 | 5 | 6 | 2 | 87 | 425.483 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 600 | 0.44 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 1200 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1200 | 0.41 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 4000 | 0.38 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 600 | 0.44 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 4000 | 0.38 | Functional ≤ 10μM |
