UCSF

ZINC34576624

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 Yes

Popular Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(methylamino)-7H-purin-8-one 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5…

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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) -0.84 -5.8 -16.03 5 10 0 146 297.271 3 ↓
Mid Mid (pH 6-8) -0.38 -7.11 -53.76 4 10 -1 149 296.263 3 ↓
Mid Mid (pH 6-8) -0.38 -7.99 -18.05 5 10 0 146 297.271 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0549686A1; EP0725778A1; EP0773957A2; EP0793713A1; EP0862643A1; EP0871760A1; EP1037641A1; US5596086; US5672491; US5712146; US5756353; US5817781; US5830750; US5843718; US5843742; US5945335; US5962290; US6001650; US6004797; US6022731; US6027931; US6060310 IBM Patent Data

Activity (Go SEA)

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