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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,1-dioxothian-4-yl)benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)benzimida…

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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) 0.34 2.92 -18.23 2 5 0 78 265.338 1 ↓
Mid Mid (pH 6-8) 0.34 3.41 -43.77 3 5 1 79 266.346 1 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-methyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-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) 0.43 2.63 -19.2 2 5 0 78 279.365 1 ↓
Mid Mid (pH 6-8) 0.43 3.07 -42.42 3 5 1 79 280.373 1 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-ethyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-ethyl-…

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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) 1.00 3.23 -18.73 2 5 0 78 293.392 2 ↓
Mid Mid (pH 6-8) 1.00 3.66 -40.49 3 5 1 79 294.4 2 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-propyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-propyl…

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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 -18.42 2 5 0 78 307.419 3 ↓
Mid Mid (pH 6-8) 1.50 4.44 -40.51 3 5 1 79 308.427 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-isopropyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-isopro…

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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) 1.48 3.68 -18.19 2 5 0 78 307.419 2 ↓
Mid Mid (pH 6-8) 1.48 4.26 -38.61 3 5 1 79 308.427 2 ↓

Analogs

36890263
36890263

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,1-dioxothian-4-yl)benzimidazol-2-amine 1-(1,1-dioxothian-4-yl)benzimida…

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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) 1.09 5.01 -38.89 3 5 1 79 266.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(chloromethyl)benzimidazol-1-yl]thiane 4-[2-(chloromethyl)benzimidazol-…

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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 5.27 -17.21 0 4 0 52 298.795 2 ↓
Lo Low (pH 4.5-6) 1.97 5.71 -42.67 1 4 1 53 299.803 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,1-dioxothian-4-yl)benzimidazole-5-carboxylic 1-(1,1-dioxothian-4-yl)benzimida…

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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) 1.17 5.6 -63.53 0 6 -1 92 293.324 2 ↓
Mid Mid (pH 6-8) 1.17 6.08 -71.12 1 6 0 93 294.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,1-dioxothian-4-yl)-2-methyl-benzimidazole-5-carboxylic 1-(1,1-dioxothian-4-yl)-2-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) 1.26 5.3 -67.78 0 6 -1 92 307.351 2 ↓
Mid Mid (pH 6-8) 1.26 5.76 -71.8 1 6 0 93 308.359 2 ↓

Parameters Provided:

ring.id = 28200
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 = 28200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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