UCSF

ZINC27558399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 19 No

Popular Name: [(1S)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic [(1S)-1-[(2,6-diaminopyrimidin-4…

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Download: MOL2 SDF SMILES Flexibase

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) -2.11 -4.44 -56.47 6 10 -1 177 293.196 7 ↓
Mid Mid (pH 6-8) -2.11 -3.29 -137.66 5 10 -2 180 292.188 7 ↓
Lo Low (pH 4.5-6) -2.11 -3.95 -67.07 7 10 0 178 294.204 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50515-2-O Human Herpesvirus 2 (cluster #2 Of 2), Other Other 0 0.00 Functional ≤ 10μM
Z50527-3-O Human Herpesvirus 3 (cluster #3 Of 3), Other Other 240 0.49 Functional ≤ 10μM
Z50530-4-O Human Herpesvirus 5 (cluster #4 Of 5), Other Other 0 0.00 Functional ≤ 10μM
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 0 0.00 Functional ≤ 10μM
Z50602-5-O Human Herpesvirus 1 (cluster #5 Of 5), Other Other 0 0.00 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 0.1 0.74 Functional ≤ 10μM
Z50515 Z50515 Human Herpesvirus 2 0.1 0.74 Functional ≤ 10μM
Z50527 Z50527 Human Herpesvirus 3 0.1 0.74 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 0.13 0.73 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 0.1 0.74 Functional ≤ 10μM
Z50600 Z50600 Vaccinia Virus 0.1 0.74 Functional ≤ 10μM

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

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