UCSF

ZINC00105082

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one 2-(3,4-Dihydroxyphenyl)-3,5,7-tr…

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CAS Number: 215257-15-1

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) 0.71 -3.82 -13.49 5 7 0 127 304.254 1 ↓
Hi High (pH 8-9.5) 0.71 -2.83 -52 4 7 -1 130 303.246 1 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; Clear yellow solution in 20 mg/ml of Ethanol Indofine
APPEARANCE .; White to off white powder Indofine
M.P. 230-233 C (dec) Indofine
MP 230-233o C Indofine
Patent Database Links EP0774249; EP1834636; EP1925311; US2007212393; US2007248700; WO2006083779; WO2007109600 ChEBI
UniProt Database Links FOMT2_WHEAT; U73B2_ARATH ChEBI
SOLUBILITY Soluble in Ethanol Indofine

Activity (Go SEA)

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