UCSF

ZINC64220074

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 18 Yes

Popular Name: 2,4,6-Trihydroxyphenylbenzylketone [727-71-9] 2,4,6-Trihydroxyphenylbenzylketo…

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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) 2.62 0.32 -11.38 3 4 0 78 244.246 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 114-116o C Indofine
MP 161-165 °C(lit.) Indofine
SOLUBILITY Soluble in Methanol Indofine

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

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