UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-2-(2-pyridyl)benzimidazole-5-carboxylic 1-methyl-2-(2-pyridyl)benzimidaz…

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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) 2.35 7.91 -56.03 0 5 -1 71 252.253 2 ↓
Lo Low (pH 4.5-6) 2.35 8.12 -46.7 1 5 0 72 253.261 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2-pyridyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-bromo-2-pyridyl)-1-methyl-b…

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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) 3.33 8.51 -51.99 0 5 -1 71 331.149 2 ↓
Lo Low (pH 4.5-6) 3.33 8.71 -47.03 1 5 0 72 332.157 2 ↓

Analogs

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Popular Name: 1-methyl-2-(6-methyl-2-pyridyl)benzimidazole-5-carboxylic 1-methyl-2-(6-methyl-2-pyridyl)b…

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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) 2.41 8.5 -55.57 0 5 -1 71 266.28 2 ↓
Lo Low (pH 4.5-6) 2.41 8.71 -46.12 1 5 0 72 267.288 2 ↓

Analogs

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Popular Name: 2-(5-cyano-2-pyridyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-cyano-2-pyridyl)-1-methyl-b…

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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) 2.11 8.31 -54.32 0 6 -1 95 277.263 2 ↓
Lo Low (pH 4.5-6) 2.11 8.52 -53.31 1 6 0 96 278.271 2 ↓

Analogs

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Popular Name: 1-methyl-2-(3-methyl-2-pyridyl)benzimidazole-5-carboxylic 1-methyl-2-(3-methyl-2-pyridyl)b…

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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) 2.75 9.02 -55.37 0 5 -1 71 266.28 2 ↓
Lo Low (pH 4.5-6) 2.75 8.03 -45.6 1 5 0 72 267.288 2 ↓

Analogs

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Popular Name: 2-(1H-benzimidazol-2-yl)pyridin-3-ol 2-(1H-benzimidazol-2-yl)pyridin-…

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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 777 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 777 0.53 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 777 0.53 Binding ≤ 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) 2.13 4.09 -38.33 2 4 0 66 211.224 1 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-(2-pyridyl)-1H-benzimidazole 5,6-dimethyl-2-(2-pyridyl)-1H-be…

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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 2433 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 2433 0.46 Binding ≤ 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 6.43 -9.41 1 3 0 42 223.279 1 ↓

Analogs

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Popular Name: 5-tert-butyl-2-(2-pyridyl)-1H-benzimidazole 5-tert-butyl-2-(2-pyridyl)-1H-be…

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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 2598 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 2598 0.41 Binding ≤ 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) 4.08 7.53 -8.75 1 3 0 42 251.333 2 ↓

Analogs

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Popular Name: DNC010965 DNC010965

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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 1511 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 1511 0.51 Binding ≤ 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) 2.54 5.29 -7.42 1 3 0 42 213.215 1 ↓

Analogs

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Popular Name: DNC010960 DNC010960

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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 1695 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 1695 0.50 Binding ≤ 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) 3.05 5.73 -7.17 1 3 0 42 229.67 1 ↓

Analogs

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Popular Name: 6-Cyano-2-(2-pyridyl)benzimidazole, 97% 6-Cyano-2-(2-pyridyl)benzimidazo…

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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 431 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 431 0.52 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 431 0.52 Binding ≤ 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) 2.13 5.61 -8.95 1 4 0 65 220.235 1 ↓

Analogs

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Popular Name: 5-fluoro-1-propyl-2-(2-pyridyl)benzimidazole 5-fluoro-1-propyl-2-(2-pyridyl)b…

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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) 3.49 9.11 -8.98 0 3 0 31 255.296 3 ↓
Lo Low (pH 4.5-6) 3.49 9.46 -24.83 1 3 1 32 256.304 3 ↓

Analogs

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Popular Name: 5-fluoro-1-isopropyl-2-(2-pyridyl)benzimidazole 5-fluoro-1-isopropyl-2-(2-pyridy…

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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) 3.35 8.71 -9.31 0 3 0 31 255.296 2 ↓
Lo Low (pH 4.5-6) 3.35 8.99 -24.36 1 3 1 32 256.304 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(2-pyridyl)benzimidazole 1-ethyl-2-(2-pyridyl)benzimidazole

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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) 2.84 8.29 -10.12 0 3 0 31 223.279 2 ↓
Lo Low (pH 4.5-6) 2.84 8.64 -23.21 1 3 1 32 224.287 2 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-2-(2-pyridyl)benzimidazole 1-(2-methoxyethyl)-2-(2-pyridyl)…

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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) 2.45 7.34 -9.64 0 4 0 40 253.305 4 ↓
Lo Low (pH 4.5-6) 2.45 7.69 -24.36 1 4 1 41 254.313 4 ↓

Analogs

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Popular Name: N-methyl-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide N-methyl-2-[2-(2-pyridyl)benzimi…

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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) 1.57 6.04 -18.42 1 5 0 60 266.304 3 ↓
Lo Low (pH 4.5-6) 1.57 6.27 -29.67 2 5 1 61 267.312 3 ↓

Parameters Provided:

ring.id = 30437
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 30437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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