UCSF

ZINC00225950

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 2-(Pyridin-2-yl)-1H-benzo[d]imidazole 2-(Pyridin-2-yl)-1H-benzo[d]imid…

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CAS Numbers: 1137-68-4 , [1137-68-4]

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) 2.40 5.22 -9.29 1 3 0 42 195.225 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 217 - 219 Enamine Building Blocks
MP 217...219 Enamine Building Blocks
MP 218 - 220 Enamine Building Blocks
Mp [°C] 220 - 225 Acros Organics
Melting_Point 221-225? Alfa-Aesar
Melting_Point 221-225° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5091587 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 574 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 574 0.58 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 574 0.58 Binding ≤ 10μM

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