| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 20 | Yes |
Popular Name: 5-Bromotubercidin 5-Bromotubercidin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 21193-80-6 , [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 | -3.13 | -12.98 | 5 | 8 | 0 | 127 | 345.153 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.9 | -46.73 | 5 | 8 | 1 | 110 | 423.472 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | -7.25 | -32.98 | 6 | 8 | 1 | 128 | 346.161 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK-1-E | Adenosine Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.48 | Binding ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 600 | 0.44 | Functional ≤ 10μM |
| 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 |
| 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 |
| 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 |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 3000 | 0.39 | Functional ≤ 10μM |
| Z81032-1-O | Human Neoplasticcell Line (cluster #1 Of 1), Other | Other | 2300 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 120 | 0.48 | Binding ≤ 1μM |
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 120 | 0.48 | Binding ≤ 10μM |
| 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 |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 3000 | 0.39 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 4000 | 0.38 | Functional ≤ 10μM |
| Z81032 | Z81032 | Human Neoplasticcell Line | 2300 | 0.39 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Purine salvage |
