| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 19 | No |
Popular Name: Brivudine Brivudine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 69304-47-8 , 82768-44-3 , [69304-47-8]
(E)-5-(2-BroMovinyl)-2'-deoxyuridine
(E)-5-(2-Bromovinyl)-2'-deoxyuridine, 98%
5-(E)-(2-Bromovinyl)-2'-deoxyuridine
| 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) | -0.94 | -2.42 | -16.76 | 3 | 7 | 0 | 105 | 333.138 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | -5.09 | -53.72 | 2 | 7 | -1 | 108 | 332.13 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 165? dec. | Alfa-Aesar |
| Melting_Point | ca 165° dec. | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.52 | Binding ≤ 10μM |
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 300 | 0.48 | Binding ≤ 10μM |
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 76 | 0.52 | Functional ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 8 | 0.60 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 16 | 0.57 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 4000 | 0.40 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 80 | 0.52 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 5 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 240 | 0.49 | Binding ≤ 1μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 100 | 0.52 | Binding ≤ 1μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 240 | 0.49 | Binding ≤ 10μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 100 | 0.52 | Binding ≤ 10μM |
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 1 | 0.66 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 120 | 0.51 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 76 | 0.52 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 10 | 0.59 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 16 | 0.57 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 10000 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
