UCSF

ZINC12398478

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 11 Yes

Popular Name: 5-Hydroxy-isoxazole-3-carboxylic acid ethyl ester 5-Hydroxy-isoxazole-3-carboxylic…

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CAS Numbers: 197729-42-3 , 70432-25-6 , 88393-81-1

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) 0.46 3.8 -6.83 0 5 0 65 157.125 3 ↓
Ref Reference (pH 7) 0.77 2.42 -37.1 0 5 -1 75 156.117 3 ↓

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

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