UCSF

ZINC04097896

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 31 No

Popular Name: (R)-5-Hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one (R)-5-Hydroxy-2-(4-hydroxyphenyl…

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CAS Number: 529-55-5

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) 0.33 -5.63 -14.12 6 10 0 166 434.397 4 ↓
Hi High (pH 8-9.5) 0.33 -4.64 -60.77 5 10 -1 169 433.389 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 222-224o C Indofine
SOLUBILITY 5 mg/20ml ethanol Indofine

Activity (Go SEA)

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