UCSF

ZINC01386049

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 32 Yes

Popular Name: 5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzisoxazole 5-{1-[3-chloro-5-(trifluoromethy…

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CAS Number: 321571-05-5

Other Names:

MFCD00663820

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) 6.21 5.44 -9.6 0 5 0 56 458.802 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

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Rings

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

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