UCSF

ZINC22054630

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 Yes

Popular Name: 8-chloro-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one 8-chloro-9-[(2R,3R,4R,5R)-3,4-di…

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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) -0.82 -5.67 -30.1 4 9 0 133 302.674 2 ↓
Hi High (pH 8-9.5) -0.36 -6.81 -57.95 3 9 -1 137 301.666 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0346400A1; EP0499291A1; US4058659; US4861873 IBM Patent Data

Activity (Go SEA)

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