UCSF

ZINC37337168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 1-(2,3-dihydro-1,4-benzodioxin-6…

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CAS Numbers: 1097017-99-6 , [1097017-99-6]

Other Names:

MFCD12540701

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) 0.88 4.35 -53.42 0 7 -1 89 260.229 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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