UCSF

ZINC00061491

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 20 No

Popular Name: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid 2-(1,3-dioxo-1,3-dihydro-2H-isoi…

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CAS Numbers: 41513-78-4 , [41513-78-4]

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) 2.54 8.32 -65.66 0 5 -1 79 266.232 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 218-220? Alfa-Aesar
Melting_Point 218-220° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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