UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-fluoro-6-(2-sulfanylbenzimidazol-1-yl)benzonitrile 2-fluoro-6-(2-sulfanylbenzimidaz…

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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) 2.79 9.82 -19.09 1 3 0 45 269.304 1 ↓

Analogs

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Popular Name: 1-(4-dimethylaminophenyl)benzimidazole-2-thiol 1-(4-dimethylaminophenyl)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 9.64 -14.36 1 3 0 24 269.373 2 ↓

Analogs

4030205
4030205

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Popular Name: 1-[4-(diethylamino)phenyl]benzimidazole-2-thiol 1-[4-(diethylamino)phenyl]benzim…

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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) 3.61 11.54 -13.94 1 3 0 24 297.427 4 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)benzimidazole-2-thiol 1-(3-fluoro-4-methoxy-phenyl)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) 3.12 8.6 -14.04 1 3 0 30 274.32 2 ↓

Analogs

34964252
34964252

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Popular Name: 1-[2-(difluoromethoxy)phenyl]benzimidazole-2-thiol 1-[2-(difluoromethoxy)phenyl]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) 3.54 8.91 -16.82 1 3 0 30 292.31 3 ↓

Analogs

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Popular Name: 1-[3-(methoxymethyl)phenyl]benzimidazole-2-thiol 1-[3-(methoxymethyl)phenyl]benzi…

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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) 2.90 8.95 -15.5 1 3 0 30 270.357 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[3-(methoxymethyl)phenyl]benzimidazole-2-thiol 5-fluoro-1-[3-(methoxymethyl)phe…

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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) 3.04 9.02 -13.21 1 3 0 30 288.347 3 ↓

Analogs

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Popular Name: 1-[3-(methoxymethyl)phenyl]-5-methyl-benzimidazole-2-thiol 1-[3-(methoxymethyl)phenyl]-5-me…

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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) 3.32 9.63 -15.56 1 3 0 30 284.384 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[3-(methoxymethyl)phenyl]benzimidazole-2-thiol 4-fluoro-1-[3-(methoxymethyl)phe…

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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) 3.02 9.02 -15.09 1 3 0 30 288.347 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[2-(methoxymethyl)phenyl]benzimidazole-2-thiol 5-fluoro-1-[2-(methoxymethyl)phe…

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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) 3.02 9.39 -12.07 1 3 0 30 288.347 3 ↓

Analogs

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Popular Name: 1-[2-(methoxymethyl)phenyl]-5-methyl-benzimidazole-2-thiol 1-[2-(methoxymethyl)phenyl]-5-me…

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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) 3.30 10 -13.48 1 3 0 30 284.384 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[2-(methoxymethyl)phenyl]benzimidazole-2-thiol 4-fluoro-1-[2-(methoxymethyl)phe…

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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) 2.99 9.39 -13.8 1 3 0 30 288.347 3 ↓

Analogs

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Popular Name: 1-(4-methoxy-3-methyl-phenyl)benzimidazole-2-thiol 1-(4-methoxy-3-methyl-phenyl)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) 3.40 9.26 -14.34 1 3 0 30 270.357 2 ↓

Analogs

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Popular Name: 5-fluoro-1-(4-fluoro-2-methoxy-phenyl)benzimidazole-2-thiol 5-fluoro-1-(4-fluoro-2-methoxy-p…

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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) 3.26 8.78 -12.45 1 3 0 30 292.31 2 ↓

Analogs

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Popular Name: 4-fluoro-1-(4-fluoro-2-methoxy-phenyl)benzimidazole-2-thiol 4-fluoro-1-(4-fluoro-2-methoxy-p…

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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) 3.23 8.78 -14.18 1 3 0 30 292.31 2 ↓

Parameters Provided:

ring.id = 76767
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 = 76767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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