UCSF

ZINC05908688

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 18 Yes

Popular Name: 2-Amino-5-biphenylylimidazole hydrochloride; Imidazole, 2-amino-5-biphenylyl-, hydrochloride; LS-78030 2-Amino-5-biphenylylimidazole hy…

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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) 3.20 9.15 -34.14 4 3 1 56 236.298 2 ↓
Hi High (pH 8-9.5) 3.20 8.69 -10.15 3 3 0 55 235.29 2 ↓
Hi High (pH 8-9.5) 3.20 8.65 -8.21 3 3 0 55 235.29 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50117-2-O Pseudomonas Aeruginosa (cluster #2 Of 2), Other Other 8600 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50117 Z50117 Pseudomonas Aeruginosa 8600 0.39 Functional ≤ 10μM

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