UCSF

ZINC08781109

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 13 Yes

Popular Name: 7-Bromopyrido[2,3-b]pyrazine-2,3(1H,4H)-dione 7-Bromopyrido[2,3-b]pyrazine-2,3…

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CAS Numbers: 168123-82-8 , [168123-82-8]

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) 0.69 0.05 -41.17 1 5 -1 82 241.024 0 ↓
Mid Mid (pH 6-8) 1.14 0.09 -36.55 1 5 -1 82 241.024 0 ↓
Mid Mid (pH 6-8) 0.24 1.14 -11.07 2 5 0 79 242.032 0 ↓
Lo Low (pH 4.5-6) 1.60 -4.63 -33.17 3 5 1 80 243.04 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0743855A1; US5620978; US5863916; WO1995018616A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-4-O Glutamate NMDA Receptor (cluster #4 Of 7), Other Other 4100 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 4100 0.58 Binding ≤ 10μM

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

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