UCSF

ZINC11995063

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 30 Yes

Popular Name: 2-{1,3-benzodioxol-5-yl[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one 2-{1,3-benzodioxol-5-yl[3-hydrox…

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Other Names:

MFCD02330694

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) -0.19 -5.67 -26.9 4 10 0 160 416.338 5 ↓

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

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