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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: 7-chloro-1-[(3R)-1,1-dioxothian-3-yl]benzimidazole-2-thiol 7-chloro-1-[(3R)-1,1-dioxothian-…

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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) 1.90 5.18 -17.06 1 4 0 55 316.835 1 ↓
Hi High (pH 8-9.5) 2.63 4.92 -45.38 0 4 -1 52 315.827 1 ↓

Analogs

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Popular Name: 7-chloro-1-[(3S)-1,1-dioxothian-3-yl]benzimidazole-2-thiol 7-chloro-1-[(3S)-1,1-dioxothian-…

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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) 1.90 5.18 -17.06 1 4 0 55 316.835 1 ↓
Hi High (pH 8-9.5) 2.63 4.91 -45.38 0 4 -1 52 315.827 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-methyl-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-5-m…

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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) 1.70 5.5 -16.55 1 4 0 55 296.417 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-methyl-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-5-m…

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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) 1.70 5.51 -16.55 1 4 0 55 296.417 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-5-f…

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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) 1.41 4.9 -16.43 1 4 0 55 300.38 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-5-f…

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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) 1.41 4.9 -16.42 1 4 0 55 300.38 1 ↓

Analogs

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Popular Name: 5-chloro-1-[(3R)-1,1-dioxothian-3-yl]benzimidazole-2-thiol 5-chloro-1-[(3R)-1,1-dioxothian-…

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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) 1.93 5.35 -15.92 1 4 0 55 316.835 1 ↓
Hi High (pH 8-9.5) 2.65 5.09 -44.33 0 4 -1 52 315.827 1 ↓

Analogs

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Popular Name: 5-chloro-1-[(3S)-1,1-dioxothian-3-yl]benzimidazole-2-thiol 5-chloro-1-[(3S)-1,1-dioxothian-…

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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) 1.93 5.35 -15.92 1 4 0 55 316.835 1 ↓
Hi High (pH 8-9.5) 2.65 5.09 -44.35 0 4 -1 52 315.827 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-5-f…

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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) 1.40 4.19 -16.99 1 5 0 64 330.406 2 ↓
Hi High (pH 8-9.5) 2.12 3.94 -44.11 0 5 -1 61 329.398 2 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-5-f…

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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) 1.40 4.19 -16.99 1 5 0 64 330.406 2 ↓
Hi High (pH 8-9.5) 2.12 3.94 -44.1 0 5 -1 61 329.398 2 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-6,7-difluoro-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-6,7…

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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) 1.50 4.89 -18.17 1 4 0 55 318.37 1 ↓
Hi High (pH 8-9.5) 2.23 4.64 -41.89 0 4 -1 52 317.362 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-6,7-difluoro-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-6,7…

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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) 1.50 4.89 -18.14 1 4 0 55 318.37 1 ↓
Hi High (pH 8-9.5) 2.23 4.63 -41.89 0 4 -1 52 317.362 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-4-f…

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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) 1.39 4.89 -17.88 1 4 0 55 300.38 1 ↓
Hi High (pH 8-9.5) 2.12 4.65 -50.1 0 4 -1 52 299.372 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-4-f…

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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) 1.39 4.9 -17.93 1 4 0 55 300.38 1 ↓
Hi High (pH 8-9.5) 2.12 4.66 -50.14 0 4 -1 52 299.372 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-6-fluoro-benzimidazole-2-thiol 1-[(3R)-1,1-dioxothian-3-yl]-6-f…

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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) 1.41 4.89 -16.41 1 4 0 55 300.38 1 ↓
Hi High (pH 8-9.5) 2.14 4.65 -42.85 0 4 -1 52 299.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-6-fluoro-benzimidazole-2-thiol 1-[(3S)-1,1-dioxothian-3-yl]-6-f…

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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) 1.41 4.9 -16.43 1 4 0 55 300.38 1 ↓
Hi High (pH 8-9.5) 2.14 4.65 -42.83 0 4 -1 52 299.372 1 ↓

Parameters Provided:

ring.id = 290403
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 = 290403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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