UCSF

ZINC19864818

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 No

Popular Name: 5-acetyl-4-hydroxy-3-methoxy-furan-2-carboxylic 5-acetyl-4-hydroxy-3-methoxy-fur…

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Vendors

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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) -2.08 3.81 -33.09 0 6 0 93 199.138 3 ↓
Hi High (pH 8-9.5) 0.60 2.73 -108.3 0 6 -2 103 198.13 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 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.