UCSF

ZINC03884339

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid 3-methyl-2-(1-oxo-1,3-dihydro-2H…

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CAS Numbers: , 101004-93-7 , 298700-69-3

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) -0.14 7.15 -61.46 0 4 -1 60 232.259 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 170 KeyOrganics
melting_point 170 - 172 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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