UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(5-methyl-2-thienyl)benzimidazol-1-yl]acetic 2-[2-(5-methyl-2-thienyl)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) 2.86 9.43 -53.23 0 4 -1 58 271.321 3 ↓
Lo Low (pH 4.5-6) 2.86 9.92 -37.31 1 4 0 59 272.329 3 ↓

Analogs

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Popular Name: 2-[2-(5-bromo-2-thienyl)benzimidazol-1-yl]acetic 2-[2-(5-bromo-2-thienyl)benzimid…

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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) 3.58 9.33 -48.61 0 4 -1 58 336.19 3 ↓
Lo Low (pH 4.5-6) 3.58 9.82 -37.09 1 4 0 59 337.198 3 ↓

Analogs

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Popular Name: 1-methyl-2-(2-thienyl)benzimidazole-5-carboxylic 1-methyl-2-(2-thienyl)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) 3.28 8.1 -56.35 0 4 -1 58 257.294 2 ↓
Lo Low (pH 4.5-6) 3.28 8.6 -46.73 1 4 0 59 258.302 2 ↓

Analogs

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Popular Name: 1-methyl-2-(3-methyl-2-thienyl)benzimidazole-5-carboxylic 1-methyl-2-(3-methyl-2-thienyl)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) 3.66 9.05 -55.81 0 4 -1 58 271.321 2 ↓
Lo Low (pH 4.5-6) 3.66 9.15 -45.59 1 4 0 59 272.329 2 ↓

Analogs

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Popular Name: 2-(5-ethyl-2-thienyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-ethyl-2-thienyl)-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) 4.08 9.71 -55.56 0 4 -1 58 285.348 3 ↓
Lo Low (pH 4.5-6) 4.08 10.2 -45.59 1 4 0 59 286.356 3 ↓

Analogs

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Popular Name: 1-methyl-2-(5-methyl-2-thienyl)benzimidazole-5-carboxylic 1-methyl-2-(5-methyl-2-thienyl)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) 3.50 8.93 -56.08 0 4 -1 58 271.321 2 ↓
Lo Low (pH 4.5-6) 3.50 9.41 -45.83 1 4 0 59 272.329 2 ↓

Analogs

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Popular Name: 2-(3-bromo-2-thienyl)-1-methyl-benzimidazole-5-carboxylic 2-(3-bromo-2-thienyl)-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) 4.02 8.94 -57.83 0 4 -1 58 336.19 2 ↓
Lo Low (pH 4.5-6) 4.02 9.26 -47.23 1 4 0 59 337.198 2 ↓

Analogs

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Popular Name: 2-(5-chloro-2-thienyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-chloro-2-thienyl)-1-methyl-…

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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) 4.08 8.72 -52.69 0 4 -1 58 291.739 2 ↓
Lo Low (pH 4.5-6) 4.08 9.22 -47.11 1 4 0 59 292.747 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2-thienyl)-1-methyl-benzimidazole-5-carboxylic 2-(5-bromo-2-thienyl)-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) 4.22 8.82 -52.58 0 4 -1 58 336.19 2 ↓
Lo Low (pH 4.5-6) 4.22 9.31 -47.01 1 4 0 59 337.198 2 ↓

Analogs

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Popular Name: 1-(2-bromo-2-propenyl)-2-(2-thienyl)-1H-benzimidazole 1-(2-bromo-2-propenyl)-2-(2-thie…

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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) 4.51 0.12 -10.37 0 2 0 17 319.227 3 ↓

Analogs

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Popular Name: 2-[4-(3-hydroxyprop-1-ynyl)-2-thienyl]-3H-benzimidazole-5-carboxylic 2-[4-(3-hydroxyprop-1-ynyl)-2-th…

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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) 2.71 5.37 -52.65 2 5 -1 89 297.315 2 ↓
Lo Low (pH 4.5-6) 2.71 5.82 -53.48 3 5 0 90 298.323 2 ↓

Analogs

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Popular Name: N-[[2-(5-nitro-2-thienyl)-1H-benzimidazole-5-carbonyl]amino]formamide N-[[2-(5-nitro-2-thienyl)-1H-ben…

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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) 1.72 3.91 -21.98 3 9 0 133 331.313 4 ↓
Lo Low (pH 4.5-6) 1.72 4.36 -54.72 4 9 1 134 332.321 4 ↓

Analogs

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Popular Name: 2-(6-methyl-1H-benzimidazol-2-yl)thiophen-3-amine 2-(6-methyl-1H-benzimidazol-2-yl…

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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) 3.17 5.09 -8.56 3 3 0 55 229.308 1 ↓
Lo Low (pH 4.5-6) 3.17 5.26 -22.57 4 3 1 56 230.316 1 ↓

Analogs

34962095
34962095

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Popular Name: 2-(1-tert-butylbenzimidazol-2-yl)thiophen-3-amine 2-(1-tert-butylbenzimidazol-2-yl…

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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) 3.99 6.67 -9.86 2 3 0 44 271.389 2 ↓
Mid Mid (pH 6-8) 3.99 6.46 -35.08 3 3 1 45 272.397 2 ↓
Lo Low (pH 4.5-6) 3.99 7.16 -20.53 3 3 1 45 272.397 2 ↓

Parameters Provided:

ring.id = 30617
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 = 30617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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