UCSF

ZINC05675849

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 14 Yes

Popular Name: [5-(4-chlorophenyl)isoxazol-3-yl]methanol [5-(4-chlorophenyl)isoxazol-3-yl…

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CAS Number: 81282-13-5

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) 2.60 -0.55 -5.9 1 3 0 46 209.632 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 96 - 98 KeyOrganics

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