In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2006 | 19 | No |
Popular Name: 5'-Azido-5'-deoxythymidine 5'-Azido-5'-deoxythymidine
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CAS Numbers: 19316-85-9 , [19316-85-9]
1-((2R,4S,5R)-5-(azidomethyl)-4-hydroxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
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) | -0.10 | -5.47 | -14.63 | 2 | 9 | 0 | 134 | 267.245 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KTHY-1-B | Thymidylate Kinase (cluster #1 Of 1), Bacterial | Bacteria | 7000 | 0.38 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KTHY_MYCTU | O05891 | Thymidylate Kinase, Myctu | 7000 | 0.38 | Binding ≤ 10μM |