UCSF

ZINC01456631

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 15 Yes

Popular Name: 1H-Benzimidazole, 2-pyrazinyl- (9CI) 1H-Benzimidazole, 2-pyrazinyl- (…

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CAS Number: 2602-88-2

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) 1.72 3.34 -9.62 1 4 0 54 196.213 1 ↓

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 4591 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 4591 0.50 Binding ≤ 10μM

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

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