| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | Yes |
Popular Name: 5-Ethynyl-2'-deoxyuridine 5-Ethynyl-2'-deoxyuridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61135-33-9 , [61135-33-9]
| 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) | -2.12 | -6.04 | -16.54 | 3 | 7 | 0 | 104 | 252.226 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50517-1-O | Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other | Other | 1200 | 0.46 | Functional ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 810 | 0.47 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 850 | 0.47 | Functional ≤ 10μM |
| Z80136-1-O | FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 390 | 0.50 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 400 | 0.50 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 4400 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 130 | 0.54 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 110 | 0.54 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 850 | 0.47 | Functional ≤ 10μM |
| Z50517 | Z50517 | Human Herpesvirus 5 Strain AD169 | 1200 | 0.46 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 400 | 0.50 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 4400 | 0.42 | Functional ≤ 10μM |
