UCSF

ZINC64539885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 No

Popular Name: [(1S,4S)-4-[(2,6-diaminopurin-9-yl)methyl]-1-oxo-3,6-dioxa-1$l^{5}-phosphacyclohex-1-yl]oxymethyl [(1S,4S)-4-[(2,6-diaminopurin-9-…

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Physical Representations

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) 0.77 6.36 -23.61 4 12 0 167 414.359 7 ↓
Lo Low (pH 4.5-6) 0.77 6.85 -41.12 5 12 1 168 415.367 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50517-1-O Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other Other 6940 0.26 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 93 0.35 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 720 0.31 Functional ≤ 10μM
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 183 0.34 Functional ≤ 10μM
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 370 0.32 Functional ≤ 10μM
Z50605-1-O Human Herpesvirus 6 (cluster #1 Of 1), Other Other 7630 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 300 0.33 Functional ≤ 10μM
Z50517 Z50517 Human Herpesvirus 5 Strain AD169 6940 0.26 Functional ≤ 10μM
Z50605 Z50605 Human Herpesvirus 6 7630 0.26 Functional ≤ 10μM
Z50600 Z50600 Vaccinia Virus 183 0.34 Functional ≤ 10μM

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.