UCSF

ZINC03894278

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 24 No

Popular Name: 6,7-Dihydroxycoumarin 6-glucoside sesquihydrate 6,7-Dihydroxycoumarin 6-glucosid…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 531-75-9 , 66778-17-4

Download: MOL2 SDF SMILES Flexibase

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) -0.99 -9.69 -15.38 5 9 0 149 340.284 3 ↓

Vendor Notes

Note Type Comments Provided By
M.P 148-149 C Indofine
Melting_Point 203-205? Alfa-Aesar
Melting_Point 203-205° Alfa-Aesar
PUBCHEM_PATENT_ID EP0017242A1; EP0022046A1; EP0028172A2; EP0029765A1; EP0042713A2; EP0044190A1; EP0046284A2; EP0046645A2; EP0052974A1; EP0055069A1; EP0055070A1; EP0055299A1; EP0077680A2; EP0088880A2; EP0092348A1; EP0094997A1; EP0101045A2; EP0101209A2; EP0109750A2; EP011515 IBM Patent Data

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

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