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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 1-[(5-methylpyrazin-2-yl)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) 1.83 6.63 -17.46 1 4 0 47 256.334 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 7-chloro-1-[(5-methylpyrazin-2-y…

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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) 2.46 7.14 -13.48 1 4 0 47 290.779 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-fluoro-1-[(5-methylpyrazin-2-y…

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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) 1.97 6.7 -16.71 1 4 0 47 274.324 2 ↓

Analogs

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Popular Name: 5-bromo-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-bromo-1-[(5-methylpyrazin-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) 2.62 7.26 -15.85 1 4 0 47 335.23 2 ↓
Hi High (pH 8-9.5) 3.35 6.99 -48.42 0 4 -1 44 334.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-chloro-1-[(5-methylpyrazin-2-y…

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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) 2.49 7.15 -16.14 1 4 0 47 290.779 2 ↓

Analogs

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Popular Name: 5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 5-methyl-1-[(5-methylpyrazin-2-y…

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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) 2.26 7.28 -12.93 1 4 0 47 270.361 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 4-fluoro-1-[(5-methylpyrazin-2-y…

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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) 1.95 6.7 -18.72 1 4 0 47 274.324 2 ↓
Hi High (pH 8-9.5) 2.68 6.44 -54.81 0 4 -1 44 273.316 2 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 6,7-difluoro-1-[(5-methylpyrazin…

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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) 2.06 6.56 -15.31 1 4 0 47 292.314 2 ↓
Hi High (pH 8-9.5) 2.79 6.42 -43.89 0 4 -1 44 291.306 2 ↓

Analogs

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Popular Name: 6-fluoro-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole-2-thiol 6-fluoro-1-[(5-methylpyrazin-2-y…

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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) 1.97 6.7 -15.57 1 4 0 47 274.324 2 ↓

Parameters Provided:

ring.id = 210370
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 = 210370 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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