UCSF

ZINC01689533

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 No

Popular Name: (2R,3R)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one (2R,3R)-3,7-Dihydroxy-2-(3,4,5-t…

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CAS Numbers: 4382-33-6 , 70460-55-8 , [4382-33-6]

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) 0.50 -4.15 -13.25 5 7 0 127 304.254 1 ↓
Ref Reference (pH 7) 0.50 -4.82 -14.44 5 7 0 127 304.254 1 ↓
Hi High (pH 8-9.5) 0.50 -4.2 -57.83 4 7 -1 130 303.246 1 ↓
Hi High (pH 8-9.5) 0.50 -3.44 -59.75 4 7 -1 130 303.246 1 ↓

Vendor Notes

Note Type Comments Provided By
APPEARANCE Powder Indofine
M.P. ~260 C Indofine
MP ~260o C Indofine

Activity (Go SEA)

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