UCSF

ZINC02040901

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 9 Yes

Popular Name: 5-Azaindole 5-Azaindole

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CAS Numbers: 271-34-1 , N/A , [271-34-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.07 2.79 -6.67 1 2 0 29 118.139 0 ↓
Lo Low (pH 4.5-6) 1.07 3.08 -29.54 2 2 1 30 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 104-108? Alfa-Aesar
MP 107 - 109 Enamine Building Blocks
MP 107...109 Enamine Building Blocks
MP 113 TCI
MP 113° Matrix Scientific
BP 132 / 0.2 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; US5331006; US5624935; US5739345; US5834501; US5977365; US6117893; WO2000000490A2 IBM Patent Data
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4784929 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.