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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-dioxobenzothiophen-6-ol 1,1-dioxobenzothiophen-6-ol

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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) 0.76 -0.72 -12.75 1 3 0 54 182.2 0 ↓
Hi High (pH 8-9.5) 0.76 0.05 -45.78 0 3 -1 57 181.192 0 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-1,1-dioxo-benzothiophene-6-carboxamide N-(4-methoxyphenyl)-1,1-dioxo-be…

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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) 2.19 3.42 -22.17 1 5 0 72 315.35 3 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-1,1-dioxo-benzothiophene-6-sulfonamide N-[2-(4-methoxyphenyl)ethyl]-1,1…

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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) 2.17 2.23 -19.7 1 6 0 90 379.459 6 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-1,1-dioxo-benzothiophene-6-carboxamide N-[2-(4-methoxyphenyl)ethyl]-1,1…

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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) 2.29 4.32 -23.29 1 5 0 72 343.404 5 ↓

Analogs

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Popular Name: 1,1-dioxobenzothiophene-6-carboxamide 1,1-dioxobenzothiophene-6-carbox…

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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) 0.06 -1.09 -20.18 2 4 0 77 209.226 1 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-1,1-dioxo-benzothiophene-6-sulfonamide N-benzyl-N-methyl-1,1-dioxo-benz…

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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 4.09 -18.3 0 5 0 72 349.433 4 ↓

Analogs

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Popular Name: N-(1,1-dioxobenzothiophen-6-yl)-3-(1-methylpyrazol-4-yl)propanamide N-(1,1-dioxobenzothiophen-6-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) 1.12 3.42 -18.34 1 6 0 81 317.37 4 ↓

Analogs

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Popular Name: N-(1,1-dioxobenzothiophen-6-yl)-3-ethoxy-benzamide N-(1,1-dioxobenzothiophen-6-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) 2.54 4.37 -17.01 1 5 0 72 329.377 4 ↓

Analogs

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Popular Name: (1S,2R)-N-(1,1-dioxobenzothiophen-6-yl)-2-phenyl-cyclopropanecarboxamide (1S,2R)-N-(1,1-dioxobenzothiophe…

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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 6.09 -21.57 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: (1S,2S)-N-(1,1-dioxobenzothiophen-6-yl)-2-phenyl-cyclopropanecarboxamide (1S,2S)-N-(1,1-dioxobenzothiophe…

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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 6.18 -15.02 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: (1R,2R)-N-(1,1-dioxobenzothiophen-6-yl)-2-phenyl-cyclopropanecarboxamide (1R,2R)-N-(1,1-dioxobenzothiophe…

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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 6.18 -14.72 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: (1R,2S)-N-(1,1-dioxobenzothiophen-6-yl)-2-phenyl-cyclopropanecarboxamide (1R,2S)-N-(1,1-dioxobenzothiophe…

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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 6.1 -14.77 1 4 0 63 325.389 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.61 0.96 -15.86 2 7 0 102 338.385 5 ↓

Analogs

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Popular Name: N-(1,1-dioxobenzothiophen-6-yl)-3-(4-nitropyrazol-1-yl)propanamide N-(1,1-dioxobenzothiophen-6-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) 0.65 3.56 -24.05 1 9 0 127 348.34 5 ↓

Analogs

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Popular Name: methyl 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) 2.28 4.79 -21.06 1 6 0 90 343.36 4 ↓

Analogs

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Popular Name: 3-(cyanomethyl)-N-(1,1-dioxobenzothiophen-6-yl)benzamide 3-(cyanomethyl)-N-(1,1-dioxobenz…

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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) 2.07 5.31 -20.63 1 5 0 87 324.361 3 ↓

Analogs

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Popular Name: N-(1,1-dioxobenzothiophen-6-yl)-2-ethyl-5-methyl-pyrazole-3-carboxamide N-(1,1-dioxobenzothiophen-6-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) 1.42 3.32 -14.86 1 6 0 81 317.37 3 ↓

Analogs

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Popular Name: 1-cyano-N-(1,1-dioxobenzothiophen-6-yl)cyclohexanecarboxamide 1-cyano-N-(1,1-dioxobenzothiophe…

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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) 2.19 4.21 -18.32 1 5 0 87 316.382 2 ↓

Analogs

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Popular Name: 2-(cyclopentoxy)-N-(1,1-dioxobenzothiophen-6-yl)acetamide 2-(cyclopentoxy)-N-(1,1-dioxoben…

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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) 1.80 4.15 -24.48 1 5 0 72 307.371 4 ↓

Analogs

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Popular Name: N-(1,1-dioxobenzothiophen-6-yl)-3-thiazol-4-yl-propanamide N-(1,1-dioxobenzothiophen-6-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) 1.66 2.71 -21.42 1 5 0 76 320.395 4 ↓

Analogs

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Popular Name: 4-chloro-N-(1,1-dioxobenzothiophen-6-yl)-2-fluoro-benzamide 4-chloro-N-(1,1-dioxobenzothioph…

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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 4.75 -24.84 1 4 0 63 337.759 2 ↓

Parameters Provided:

ring.id = 188164
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 = 188164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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