UCSF

ZINC17986642

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 No

Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 3-(5-methyl-1,3-dioxooctahydro-2…

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Other Names:

MFCD02020253

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) 4.55 12.09 -13.67 0 5 0 64 363.413 4 ↓
Ref Reference (pH 7) 4.55 11.82 -11.84 0 5 0 64 363.413 4 ↓

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

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