UCSF

ZINC18166302

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 23 No

Popular Name: 2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triol 2-(hydroxymethyl)-6-{[3,4,5-trih…

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CAS Numbers: 1174299-27-4 , 6138-23-4 , [6138-23-4]

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) -4.30 -13.05 -16.54 8 11 0 190 342.297 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks

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

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