UCSF

ZINC39282343

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 No

Popular Name: 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dio 1-[(2S,4R,5S)-4-hydroxy-5-(hydro…

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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) -0.67 -2.73 -10.59 3 7 0 105 380.138 3 ↓
Hi High (pH 8-9.5) -0.21 -5.36 -46.56 2 7 -1 108 379.13 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000078364A2 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 4400 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 10 0.59 Functional ≤ 10μM

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