| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | No |
Popular Name: (2R)-3-[2-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)ethyl]-2-methylol-thiazolidin-4-one (2R)-3-[2-(4-amino-5-fluoro-2-ke…
| 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) | -1.28 | -6 | -28.49 | 3 | 7 | 0 | 101 | 288.304 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50755-1-O | Anas Sp. (cluster #1 Of 1), Other | Other | 2000 | 0.42 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 10000 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50755 | Z50755 | Anas Sp. | 2000 | 0.42 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 10000 | 0.37 | Functional ≤ 10μM |
