UCSF

ZINC02386971

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 6-Chloroindole-2-carboxylic acid 6-Chloroindole-2-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16732-75-5 , [16732-75-5]

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) 2.63 -0.78 -43.98 1 3 -1 56 194.597 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 242 - 244 Enamine Building Blocks
MP 242...244 Enamine Building Blocks
MP 248-249° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9-1-V Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral Viruses 400 0.69 Binding ≤ 10μM
Z104302-4-O Glutamate NMDA Receptor (cluster #4 Of 7), Other Other 10000 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9_9HEPC A3EZI9 Hepatitis C Virus NS3 Protease/helicase, 9hepc 400 0.69 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 10000 0.54 Binding ≤ 10μM
A3EZI9_9HEPC A3EZI9 Hepatitis C Virus NS3 Protease/helicase, 9hepc 400 0.69 Binding ≤ 10μM

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