UCSF

ZINC02155929

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 No

Popular Name: 1-(2-methoxy-5-methylphenyl)-1H-pyrrole-2,5-dione 1-(2-methoxy-5-methylphenyl)-1H-…

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CAS Numbers: , 199464-95-4

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) 1.92 5.09 -13.69 0 4 0 48 217.224 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

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