UCSF

ZINC13824777

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 20 Yes

Popular Name: 2-[2-(p-tolyl)imidazo[5,4-b]pyridin-3-yl]acetamide 2-[2-(p-tolyl)imidazo[5,4-b]pyri…

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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) 1.89 5.24 -18.17 2 5 0 74 266.304 3 ↓
Mid Mid (pH 6-8) 1.89 5.67 -32.2 3 5 1 75 267.312 3 ↓
Lo Low (pH 4.5-6) 1.89 5.5 -40.55 3 5 1 75 267.312 3 ↓
Lo Low (pH 4.5-6) 1.89 5.93 -94.41 4 5 2 76 268.32 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 4500 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 4500 0.37 Binding ≤ 10μM

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

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