UCSF

ZINC05155444

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 Yes

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

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CAS Numbers: 180923-81-3 , [180923-81-3]

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) 0.36 6.91 -45.75 0 4 -1 60 246.286 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 138 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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