UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4300662
4300662
12899410
12899410

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Popular Name: [2-(2,5-dimethoxyphenyl)sulfanyl-3-pyridyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [2-(2,5-dimethoxyphenyl)sulfanyl…

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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) 2.86 7.46 -17.14 0 5 0 52 358.463 5 ↓

Analogs

4300662
4300662
12899410
12899410

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,5-dimethoxyphenyl)sulfanyl-3-pyridyl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [2-(2,5-dimethoxyphenyl)sulfanyl…

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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) 2.86 7.44 -16.86 0 5 0 52 358.463 5 ↓

Analogs

4300662
4300662
12899410
12899410

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,5-dimethoxyphenyl)sulfanyl-3-pyridyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone [2-(2,5-dimethoxyphenyl)sulfanyl…

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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) 1.89 4.27 -16.63 1 6 0 72 374.462 6 ↓

Analogs

7980177
7980177
7980179
7980179

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Popular Name: (2S)-1-(2-phenylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxamide (2S)-1-(2-phenylsulfanylpyridine…

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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) 1.77 5.79 -23.47 2 5 0 76 327.409 4 ↓

Analogs

7980177
7980177
7980179
7980179

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(p-tolylsulfanyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[2-(p-tolylsulfanyl)pyrid…

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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) 2.22 6.48 -23.41 2 5 0 76 341.436 4 ↓

Parameters Provided:

ring.id = 602710
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 = 602710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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