In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2008 | 17 | Yes |
Popular Name: 2'-Deoxy-2'-fluorocytidine 2'-Deoxy-2'-fluorocytidine
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CAS Number: 10212-20-1
2'-Deoxy-2'-Fluorocytidine; (2'-Fluoro-2'- Deoxycytidine, 2'-FC)
4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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) | -1.96 | -4.85 | -31.98 | 4 | 7 | 0 | 111 | 245.21 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | ¡Ý98.0% | APIChem |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 1400 | 0.48 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50587 | Z50587 | Homo Sapiens | 1400 | 0.48 | Functional ≤ 10μM |