UCSF

ZINC03183190

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 13 Yes

Popular Name: 1,7-dimethyl-1H-indole-2,3-dione 1,7-dimethyl-1H-indole-2,3-dione

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CAS Numbers: 91790-39-5 , [91790-39-5]

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) 1.30 4.4 -10.14 0 3 0 39 175.187 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% )