UCSF

ZINC12958136

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 14 No

Popular Name: 5-(4-Methylphenyl)isoxazole-3-carboxaldehyde 5-(4-Methylphenyl)isoxazole-3-ca…

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CAS Number: 640292-02-0

Other Names:

MFCD06199344

n / a

QB-5009

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) 2.82 5.97 -11.77 0 3 0 43 187.198 2 ↓

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