UCSF

ZINC40448383

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 Yes

Popular Name: 3-methyl-1,2-benzisoxazol-6-ol 3-methyl-1,2-benzisoxazol-6-ol

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CAS Numbers: 66033-92-9 , [66033-92-9]

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) 1.45 1.71 -9.84 1 3 0 46 149.149 0 ↓
Hi High (pH 8-9.5) 1.45 2.47 -44.36 0 3 -1 49 148.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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