UCSF

ZINC01400602

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 13 Yes

Popular Name: 1-(1-Methyl-1H-indol-3-yl)ethanone 1-(1-Methyl-1H-indol-3-yl)ethanone

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CAS Numbers: 19012-02-3 , [19012-02-3]

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) 2.05 2.09 -14.29 0 2 0 22 173.215 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 105 - 109 MolMall (formerly Molecular Diversity Preservation International)
melting_point 108 - 110 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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