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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43411969
43411969
44677941
44677941
44677942
44677942
44677943
44677943
44677944
44677944

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Popular Name: 4-phenethyl-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-phenethyl-5-(2-pyridyl)-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) 2.95 10.3 -50.83 0 4 -1 44 281.364 4 ↓
Mid Mid (pH 6-8) 2.22 10.28 -11.58 1 4 0 47 282.372 4 ↓

Analogs

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Popular Name: 4-[2-(4-fluorophenyl)ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[2-(4-fluorophenyl)ethyl]-5-(2…

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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) 3.11 10.38 -48.1 0 4 -1 44 299.354 4 ↓
Mid Mid (pH 6-8) 2.38 10.34 -11.8 1 4 0 47 300.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-fluorophenyl)ethyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[2-(2-fluorophenyl)ethyl]-5-(2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.06 10.33 -56.54 0 4 -1 44 299.354 4 ↓
Mid Mid (pH 6-8) 2.34 10.31 -15.33 1 4 0 47 300.362 4 ↓

Parameters Provided:

ring.id = 566957
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 = 566957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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