UCSF

ZINC02473580

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 12 Yes

Popular Name: 4-Methyl-1H-indole-2,3-dione 4-Methyl-1H-indole-2,3-dione

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CAS Numbers: 1128-44-5 , [1128-44-5]

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) 1.23 2.64 -9.7 1 3 0 50 161.16 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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