UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: azepan-1-yl-(4-chloro-2-methyl-pyrazol-3-yl)methanone azepan-1-yl-(4-chloro-2-methyl-p…

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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 0.85 -8.46 0 4 0 38 241.722 1 ↓

Analogs

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Popular Name: azepan-1-yl-(4-iodo-2-methyl-pyrazol-3-yl)methanone azepan-1-yl-(4-iodo-2-methyl-pyr…

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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) 2.49 6.45 -7.8 0 4 0 38 333.173 1 ↓

Analogs

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Popular Name: azepan-1-yl-(2-ethyl-5-methyl-pyrazol-3-yl)methanone azepan-1-yl-(2-ethyl-5-methyl-py…

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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 6.53 -8.42 0 4 0 38 235.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: azepan-1-yl-(4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)methanone azepan-1-yl-(4-chloro-2-ethyl-5-…

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) 2.68 7.35 -8.73 0 4 0 38 269.776 2 ↓

Parameters Provided:

ring.id = 244001
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 = 244001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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