UCSF

ZINC01793631

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

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

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CAS Numbers: 4290-91-9 , [4290-91-9]

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) 2.34 1.42 -10.44 0 3 0 39 203.241 3 ↓

Vendor Notes

Note Type Comments Provided By
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% )