UCSF

ZINC02169005

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 Yes

Popular Name: 7-methyl-1H-indole-2-carboxylic acid 7-methyl-1H-indole-2-carboxylic …

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CAS Numbers: 18474-60-7 , [18474-60-7]

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) 2.37 -0.31 -48.16 1 3 -1 56 174.179 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 175 Enamine Building Blocks
MP 169...175 Enamine Building Blocks
MP 176° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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