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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: 4-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide 4-[(2-methoxyphenyl)sulfamoyl]-N…

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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) 2.32 3.51 -23.65 2 8 0 110 390.446 6 ↓
Hi High (pH 8-9.5) 2.32 3.55 -54.27 1 8 -1 112 389.438 6 ↓
Hi High (pH 8-9.5) 2.39 2.6 -47.15 1 8 -1 117 389.438 6 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(2-fluorophenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 3.78 7.3 -51.96 1 7 -1 103 433.51 8 ↓
Hi High (pH 8-9.5) 3.84 6.4 -94.37 0 7 -2 109 432.502 8 ↓
Mid Mid (pH 6-8) 3.78 7.24 -23.1 2 7 0 101 434.518 8 ↓

Analogs

25445378
25445378
25445398
25445398
25445530
25445530
25445538
25445538
25445567
25445567

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 3.72 6.4 -22.84 2 8 0 110 446.554 9 ↓
Hi High (pH 8-9.5) 3.72 6.47 -49.88 1 8 -1 112 445.546 9 ↓
Hi High (pH 8-9.5) 3.78 5.58 -92.97 0 8 -2 119 444.538 9 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 3.82 7.26 -24.51 2 7 0 101 434.518 8 ↓
Hi High (pH 8-9.5) 3.89 6.44 -88.36 0 7 -2 109 432.502 8 ↓
Mid Mid (pH 6-8) 3.82 7.34 -45.85 1 7 -1 103 433.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-chlorophenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.34 7.73 -23.95 2 7 0 101 450.973 8 ↓
Hi High (pH 8-9.5) 4.41 6.89 -88.55 0 7 -2 109 448.957 8 ↓
Mid Mid (pH 6-8) 4.34 7.8 -45.84 1 7 -1 103 449.965 8 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.53 8.31 -46.25 1 7 -1 103 483.517 9 ↓
Hi High (pH 8-9.5) 4.60 7.42 -89.56 0 7 -2 109 482.509 9 ↓
Mid Mid (pH 6-8) 4.53 8.24 -22.97 2 7 0 101 484.525 9 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.48 8.35 -22.07 2 7 0 101 444.582 8 ↓
Hi High (pH 8-9.5) 4.55 7.45 -48.59 1 7 -1 107 443.574 8 ↓
Hi High (pH 8-9.5) 4.48 8.42 -52.32 1 7 -1 103 443.574 8 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 3.60 7.24 -50.9 1 11 -1 158 490.543 10 ↓
Hi High (pH 8-9.5) 3.67 6.35 -96.33 0 11 -2 165 489.535 10 ↓
Mid Mid (pH 6-8) 3.60 7.21 -25.49 2 11 0 156 491.551 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(o-tolylsulfamoyl)benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.06 7.91 -21.95 2 7 0 101 430.555 8 ↓
Hi High (pH 8-9.5) 4.13 7.02 -48.59 1 7 -1 107 429.547 8 ↓
Hi High (pH 8-9.5) 4.06 7.95 -48.97 1 7 -1 103 429.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.46 8.4 -21.8 2 7 0 101 444.582 8 ↓
Hi High (pH 8-9.5) 4.46 8.44 -49.85 1 7 -1 103 443.574 8 ↓
Hi High (pH 8-9.5) 4.53 7.54 -94.16 0 7 -2 109 442.566 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(p-tolylsulfamoyl)benzamide N-(5-propyl-1,3,4-thiadiazol-2-y…

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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) 3.55 6.98 -21.94 2 7 0 101 416.528 7 ↓
Hi High (pH 8-9.5) 3.62 6.08 -48.36 1 7 -1 107 415.52 7 ↓
Hi High (pH 8-9.5) 3.62 6.15 -94.36 0 7 -2 109 414.512 7 ↓

Parameters Provided:

ring.id = 110681
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 = 110681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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