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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 5-fluoro-1-[(4R)-4,5,6,7-tetrahy…

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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 9.89 -9.08 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 5-fluoro-1-[(4S)-4,5,6,7-tetrahy…

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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 10.24 -11.26 1 2 0 21 304.415 1 ↓

Analogs

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Popular Name: 4-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 4-fluoro-1-[(4R)-4,5,6,7-tetrahy…

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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) 3.59 9.88 -10.7 1 2 0 21 304.415 1 ↓
Hi High (pH 8-9.5) 4.32 9.43 -52.78 0 2 -1 18 303.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 4-fluoro-1-[(4S)-4,5,6,7-tetrahy…

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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) 3.59 10.25 -13.12 1 2 0 21 304.415 1 ↓
Hi High (pH 8-9.5) 4.32 9.99 -48.17 0 2 -1 18 303.407 1 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6,7-difluoro-1-[(4R)-4,5,6,7-tet…

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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) 3.71 9.42 -10.82 1 2 0 21 322.405 1 ↓
Hi High (pH 8-9.5) 4.43 9.11 -36.17 0 2 -1 18 321.397 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6,7-difluoro-1-[(4S)-4,5,6,7-tet…

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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) 3.71 10.23 -12.48 1 2 0 21 322.405 1 ↓
Hi High (pH 8-9.5) 4.43 9.98 -40.14 0 2 -1 18 321.397 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6-fluoro-1-[(4R)-4,5,6,7-tetrahy…

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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 9.89 -10.28 1 2 0 21 304.415 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzimidazole-2-thiol 6-fluoro-1-[(4S)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.24 -11.08 1 2 0 21 304.415 1 ↓

Parameters Provided:

ring.id = 212055
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 = 212055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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