UCSF

ZINC44682100

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 8 No

Popular Name: 3-(Methylsulfonyl)azetidine 3-(Methylsulfonyl)azetidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106859-45-4 , 1400764-60-4 , 935668-43-2 , N/A , [106859-45-4] , [1400764-60-4] , [935668-43-2]

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) -0.65 -3.37 -12.05 1 3 0 46 135.188 1 ↓
Mid Mid (pH 6-8) -0.65 -1.67 -50.74 2 3 1 51 136.196 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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