UCSF

ZINC02040902

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-Azaindole 6-Azaindole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 271-29-4 , 935685-89-5 , [271-29-4]

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 2.78 -6.77 1 2 0 29 118.139 0 ↓
Lo Low (pH 4.5-6) 1.07 3.06 -30.2 2 2 1 30 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 137° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Purity 98% APIChem
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; EP1034167A1; EP1062218A1; US5624935; US5739345; US5834501; US5977365; US6117893; WO1999019304A2; WO1999046237A1; WO1999046268A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

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

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