UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31891138
31891138
31891141
31891141

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Popular Name: 5-(4-chlorophenyl)-1H-imidazol-2-amine 5-(4-chlorophenyl)-1H-imidazol-2…

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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 3500 0.59 Functional ≤ 10μM

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) 2.08 6.24 -34.16 4 3 1 56 194.645 1 ↓
Ref Reference (pH 7) 2.08 6.26 -34.29 4 3 1 56 194.645 1 ↓
Hi High (pH 8-9.5) 2.08 5.76 -6.66 3 3 0 55 193.637 1 ↓

Analogs

5907895
5907895

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Popular Name: 5-(4-bromophenyl)-1H-imidazol-2-amine 5-(4-bromophenyl)-1H-imidazol-2-…

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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 3200 0.59 Functional ≤ 10μM

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) 2.21 -2.54 -6.84 3 3 0 55 238.088 1 ↓
Mid Mid (pH 6-8) 2.21 -2.28 -35.03 4 3 1 56 239.096 1 ↓

Analogs

36157389
36157389
36159253
36159253

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

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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

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 ↓

Analogs

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Popular Name: 1-pentyl-5-phenyl-1H-imidazol-2-amine 1-pentyl-5-phenyl-1H-imidazol-2-…

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Vendors

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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 2100 0.47 Functional ≤ 10μM

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) 3.41 10.09 -32.18 3 3 1 45 230.335 5 ↓
Hi High (pH 8-9.5) 3.41 9.62 -8.59 2 3 0 44 229.327 5 ↓

Analogs

597112
597112
6385314
6385314
39294843
39294843

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Popular Name: Ciprofloxacin Ciprofloxacin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 500 0.37 Binding ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 500 0.37 Binding ≤ 10μM
PARC-1-B Topoisomerase IV Subunit A (cluster #1 Of 1), Bacterial Bacteria 2300 0.33 Binding ≤ 10μM
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 200 0.39 Functional ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 200 0.39 Functional ≤ 10μM
PARC-1-B Topoisomerase IV Subunit A (cluster #1 Of 1), Bacterial Bacteria 2500 0.33 Functional ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 3020 0.32 Binding ≤ 10μM
TOP2A-1-E DNA Topoisomerase II Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.44 Binding ≤ 10μM
TOP2B-1-E DNA Topoisomerase II Beta (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.44 Binding ≤ 10μM
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 410 0.37 Binding ≤ 10μM
Z50117-1-O Pseudomonas Aeruginosa (cluster #1 Of 2), Other Other 220 0.39 Functional ≤ 10μM
Z50185-3-O Staphylococcus Aureus (cluster #3 Of 4), Other Other 400 0.37 Functional ≤ 10μM
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 10 0.47 Functional ≤ 10μM
Z50378-1-O Mycobacterium Intracellulare (cluster #1 Of 1), Other Other 910 0.35 Functional ≤ 10μM
Z50380-1-O Mycobacterium Smegmatis (cluster #1 Of 4), Other Other 1980 0.33 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 9440 0.29 Functional ≤ 10μM

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) -0.70 9.07 -109.14 2 6 0 82 331.347 3 ↓
Hi High (pH 8-9.5) -0.70 7.77 -65.4 1 6 -1 77 330.339 3 ↓
Mid Mid (pH 6-8) -3.45 7.06 -88.49 3 6 1 85 332.355 2 ↓

Parameters Provided:

annotation.name = Z50117
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50117' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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