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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6505473
6505473

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Popular Name: N-(2-Chloro-phenyl)-3-(4-ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-propionamide N-(2-Chloro-phenyl)-3-(4-ethyl-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) 1.81 8.34 -14.08 2 5 0 63 310.81 5 ↓
Mid Mid (pH 6-8) 2.54 8.11 -46.89 1 5 -1 60 309.802 5 ↓

Analogs

6505473
6505473

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Popular Name: N-(2-Chloro-phenyl)-3-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-propionamide N-(2-Chloro-phenyl)-3-(5-mercapt…

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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) 1.43 7.45 -14.38 2 5 0 63 296.783 4 ↓
Mid Mid (pH 6-8) 2.16 7.32 -46.31 1 5 -1 60 295.775 4 ↓

Analogs

6505473
6505473

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Popular Name: 3-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-chloro-phenyl)-propionamide 3-(4-Allyl-5-mercapto-4H-[1,2,4]…

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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) 2.08 8.89 -13.89 2 5 0 63 322.821 6 ↓
Mid Mid (pH 6-8) 2.81 8.73 -47.47 1 5 -1 60 321.813 6 ↓

Parameters Provided:

ring.id = 248585
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 = 248585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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