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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: N-(4-methoxyphenyl)-N-methyl-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfona N-(4-methoxyphenyl)-N-methyl-3-(…

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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) 3.21 -3.14 -19.08 0 6 0 67 442.562 5 ↓

Analogs

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Popular Name: 2-chloro-N-(4-methoxyphenyl)-5-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfona 2-chloro-N-(4-methoxyphenyl)-5-(…

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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) 3.60 -4.47 -16.06 1 6 0 76 462.98 5 ↓

Analogs

21628862
21628862

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Popular Name: N-(p-tolyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide N-(p-tolyl)-3-(9-thia-4-azabicyc…

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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) 3.36 -4.22 -16.29 1 5 0 66 412.536 4 ↓

Analogs

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Popular Name: 4-chloro-N-(4-fluorophenyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonam 4-chloro-N-(4-fluorophenyl)-3-(9…

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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 -4.22 -12.88 1 5 0 66 450.944 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-(p-tolyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide 4-methyl-N-(p-tolyl)-3-(9-thia-4…

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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) 3.76 -4.27 -11.71 1 5 0 66 426.563 4 ↓

Analogs

26053292
26053292

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Popular Name: 2-methyl-N-(m-tolyl)-5-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide 2-methyl-N-(m-tolyl)-5-(9-thia-4…

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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) 3.74 -3.68 -18.31 1 5 0 66 426.563 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-4-methyl-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfona N-(4-methoxyphenyl)-4-methyl-3-(…

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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) 3.37 -4.58 -12.84 1 6 0 76 442.562 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide N-(4-ethoxyphenyl)-3-(9-thia-4-a…

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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) 3.35 -4.52 -16.52 1 6 0 76 442.562 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-methyl-5-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfona N-(4-methoxyphenyl)-2-methyl-5-(…

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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) 3.37 -3.99 -18.68 1 6 0 76 442.562 5 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide N-(4-bromophenyl)-3-(9-thia-4-az…

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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) 3.72 -5.3 -15.46 1 5 0 66 477.405 4 ↓

Analogs

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Popular Name: 2-chloro-N-(4-ethoxyphenyl)-5-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonam 2-chloro-N-(4-ethoxyphenyl)-5-(9…

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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) 3.98 -4.45 -15.81 1 6 0 76 477.007 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(p-tolyl)-5-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide 2-methoxy-N-(p-tolyl)-5-(9-thia-…

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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) 3.37 -3.87 -19.54 1 6 0 76 442.562 5 ↓

Analogs

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Popular Name: 4-methyl-N-(o-tolyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide 4-methyl-N-(o-tolyl)-3-(9-thia-4…

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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 -3.8 -13.12 1 5 0 66 426.563 4 ↓

Analogs

21639012
21639012
21639018
21639018

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-3-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonyl)benzenesulfonamide N-(2-fluorophenyl)-3-(9-thia-4-a…

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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) 3.03 -3.78 -15.01 1 5 0 66 416.499 4 ↓

Analogs

12855521
12855521
21639012
21639012
21639018
21639018

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Popular Name: 3-[(4S)-4-ethyl6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide 3-[(4S)-4-ethyl6,7-dihydro-4H-th…

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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) 4.09 9.28 -54.26 0 5 -1 69 443.545 5 ↓

Analogs

21639012
21639012
21639018
21639018
12855516
12855516

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Popular Name: 3-[(4R)-4-ethyl6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide 3-[(4R)-4-ethyl6,7-dihydro-4H-th…

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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) 4.09 8.45 -15.48 1 5 0 66 444.553 5 ↓

Parameters Provided:

ring.id = 90608
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 = 90608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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