UCSF

ZINC01394150

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 No

Popular Name: 3-(chloromethyl)-5-(4-chlorophenyl)isoxazole 3-(chloromethyl)-5-(4-chlorophen…

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CAS Number: 343374-64-1

Other Names:

MFCD01444121

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) 3.83 1.96 -5.72 0 2 0 26 228.078 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 90 - 92 KeyOrganics

Activity (Go SEA)

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