UCSF

ZINC13610668

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 16 Yes

Popular Name: 5-Ethyl-1,3-dimethyl-1H-indole-2-carboxylic acid 5-Ethyl-1,3-dimethyl-1H-indole-2…

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CAS Numbers: 928707-70-4 , [928707-70-4]

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) 3.31 7.72 -48.85 0 3 -1 45 216.26 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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