UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19887879
19887879
39975866
39975866
39975867
39975867

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Popular Name: 7-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzofuran-2-carboxamide 7-methoxy-N-(3-pyrrolidin-1-ylpr…

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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) 2.41 6.49 -41.62 2 5 1 56 303.382 6 ↓

Analogs

42455168
42455168
42455169
42455169
42459171
42459171

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Popular Name: N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]benzofuran-2-carboxamide N-[(2S)-2-methyl-3-pyrrolidin-1-…

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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) 2.87 8.04 -39.89 2 4 1 47 287.383 5 ↓

Analogs

42455168
42455168
42455169
42455169
42459171
42459171

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]benzofuran-2-carboxamide N-[(2R)-2-methyl-3-pyrrolidin-1-…

Find On: PubMed — Wikipedia — Google

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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) 2.87 8.01 -38.47 2 4 1 47 287.383 5 ↓

Parameters Provided:

ring.id = 150175
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 = 150175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=150175&filter.purchasability=annotated

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