UCSF

ZINC01384332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 Yes

Popular Name: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl](1-oxa-4-azaspiro[4.5]dec-4-yl)methanone [3-(2-chlorophenyl)-5-methyl-4-i…

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CAS Number: 329702-13-8

Other Names:

MFCD02169679

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) 3.65 7.92 -8.98 0 5 0 56 360.841 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 - 158 KeyOrganics

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Rings

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

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