UCSF

ZINC20596503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 12 Yes

Popular Name: 4-Azaindole-3-carboxylic acid 4-Azaindole-3-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 860363-17-3 , 860496-20-4 , [860363-17-3] , [860496-20-4]

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) 0.76 2.34 -67.01 1 4 -1 69 161.14 1 ↓
Mid Mid (pH 6-8) 0.76 2.77 -51.26 2 4 0 70 162.148 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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