UCSF

ZINC01385561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Popular Name: methyl 6-[(2-chlorobenzoyl)amino]-1,2-benzisoxazole-3-carboxylate methyl 6-[(2-chlorobenzoyl)amino…

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CAS Number: 400080-67-3

Other Names:

MFCD01936235

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) 3.30 1.51 -15.34 1 6 0 81 330.727 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 188 - 190 KeyOrganics

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Rings

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

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