| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 16 | No |
Popular Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione 1-[4-hydroxy-5-(hydroxymethyl)te…
| 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) | -1.59 | -7.21 | -12.35 | 3 | 6 | 0 | 95 | 244.272 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 4000 | 0.47 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 2700 | 0.49 | Functional ≤ 10μM |
| Z80945-1-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #1 Of 4), Other | Other | 2100 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 4000 | 0.47 | Functional ≤ 10μM |
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 2100 | 0.50 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2700 | 0.49 | Functional ≤ 10μM |
