UCSF

ZINC00157342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

Popular Name: 4-Iodo-3,5-dimethylisoxazole 4-Iodo-3,5-dimethylisoxazole

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CAS Numbers: 10557-85-4 , [10557-85-4]

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) 1.88 4.37 -3.78 0 2 0 26 223.013 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 51-55? Alfa-Aesar
Melting_Point 53-55? Alfa-Aesar
Melting_Point 53-55° Alfa-Aesar
MP 54 TCI
Purity 97% Matrix Scientific
Warnings LIGHT SENSITIVE Matrix Scientific
Warnings Light Sensitive/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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