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

2792390
2792390
2792654
2792654

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Popular Name: 5-bromo-2-(difluoromethoxy)-N-[3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]benzamide 5-bromo-2-(difluoromethoxy)-N-[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) 4.07 2.95 -12 1 6 0 69 447.183 6 ↓

Analogs

2791552
2791552

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Popular Name: 5-bromo-2-(difluoromethoxy)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]benzamide 5-bromo-2-(difluoromethoxy)-N-[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) 4.09 9.1 -14.65 1 6 0 69 443.22 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(difluoromethoxy)-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]benzamide 5-bromo-2-(difluoromethoxy)-N-[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) 3.53 1.12 -14.45 1 6 0 69 407.24 6 ↓

Analogs

2791552
2791552

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(difluoromethoxy)-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzamide 5-bromo-2-(difluoromethoxy)-N-[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) 3.16 1.12 -14.62 1 6 0 69 393.213 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(difluoromethoxy)-N-[3-(ethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]benzamide 5-bromo-2-(difluoromethoxy)-N-[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) 4.45 9.25 -13.4 1 6 0 69 461.21 7 ↓

Analogs

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Popular Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-4-fluoro-benzamide N-[3-(difluoromethyl)-5-(ethylth…

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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) 2.35 2.17 -15.1 1 5 0 59 316.308 5 ↓

Analogs

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Popular Name: 2-(difluoromethoxy)-N-[3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]benzamide 2-(difluoromethoxy)-N-[3-(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) 3.29 3.7 -14.69 1 6 0 69 368.287 6 ↓

Parameters Provided:

ring.id = 237406
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 = 237406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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