| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 19 | No |
Popular Name: 114088-58-3; 9-((2-Phosphonylmethoxy)ethyl)guanine; C11184; PMEG 114088-58-3; 9-((2-Phosphonylmet…
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CAS Number: 114088-58-3
| 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) | -2.14 | -0.85 | -60.55 | 4 | 10 | -1 | 159 | 288.18 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101697-1-O | Camelpox Virus (cluster #1 Of 1), Other | Other | 5500 | 0.39 | Functional ≤ 10μM |
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 1100 | 0.44 | Functional ≤ 10μM |
| Z50530-4-O | Human Herpesvirus 5 (cluster #4 Of 5), Other | Other | 90 | 0.52 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 200 | 0.49 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 90 | 0.52 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 200 | 0.49 | Functional ≤ 10μM |
| Z80472-1-O | SiHa (Cervical Squamous Cell Carcinoma) (cluster #1 Of 2), Other | Other | 8970 | 0.37 | Functional ≤ 10μM |
| Z80583-7-O | Vero (Kidney Cells) (cluster #7 Of 7), Other | Other | 1100 | 0.44 | Functional ≤ 10μM |
| Z80874-7-O | CEM (T-cell Leukemia) (cluster #7 Of 7), Other | Other | 200 | 0.49 | Functional ≤ 10μM |
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 2160 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101697 | Z101697 | Camelpox Virus | 2900 | 0.41 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 200 | 0.49 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2160 | 0.42 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 1100 | 0.44 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 90 | 0.52 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 200 | 0.49 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 90 | 0.52 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 190 | 0.50 | Functional ≤ 10μM |
| Z80472 | Z80472 | SiHa (Cervical Squamous Cell Carcinoma) | 210 | 0.49 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 1100 | 0.44 | Functional ≤ 10μM |
