UCSF

ZINC03270971

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 15 Yes

Popular Name: 1-Isobutyl-1H-indole-2,3-dione 1-Isobutyl-1H-indole-2,3-dione

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CAS Numbers: , 78846-77-2 , [78846-77-2]

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) 2.02 1.56 -10.53 0 3 0 39 203.241 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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