UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25378651
25378651
25378644
25378644
12946659
12946659

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Popular Name: N-(2-cyanoethyl)-2-(p-tolylsulfanyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-(p-tolylsulfa…

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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) 2.37 10.47 -18.97 0 5 0 66 381.501 7 ↓

Analogs

25378651
25378651
25378644
25378644
12946659
12946659

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-(p-tolylsulfanyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-(p-tolylsulfa…

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) 2.37 11.08 -17.01 0 5 0 66 381.501 7 ↓

Analogs

12938616
12938616
12938609
12938609

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Popular Name: N-(2-cyanoethyl)-2-phenylsulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-phenylsulfany…

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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) 1.92 9.79 -19.08 0 5 0 66 367.474 7 ↓

Analogs

12938616
12938616
12938609
12938609

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-phenylsulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-(2-cyanoethyl)-2-phenylsulfany…

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) 1.92 10.41 -17.12 0 5 0 66 367.474 7 ↓

Analogs

4300662
4300662
22620960
22620960

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 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) 2.73 5.05 -16.05 1 6 0 70 374.462 7 ↓

Parameters Provided:

ring.id = 602575
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 = 602575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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