UCSF

ZINC38138916

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 19 No

Popular Name: 1-[(2S,4S,5S)-3-(difluoromethylene)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-d 1-[(2S,4S,5S)-3-(difluoromethyle…

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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) -1.63 -4.49 -13.13 3 7 0 105 276.195 2 ↓
Hi High (pH 8-9.5) -1.18 -7.01 -54.01 2 7 -1 108 275.187 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0746614A1; US5378693; US5607925; US5616702; US5627053; US5639647; US5792841; US5977325; US5985621; WO1995023225A2; WO1996018736A2 IBM Patent Data

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Rings

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

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