UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25369893
25369893

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Popular Name: N-cyclohexyl-2-[(4-fluorophenyl)methylsulfonylamino]acetamide N-cyclohexyl-2-[(4-fluorophenyl)…

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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) 2.74 3.47 -18.9 2 5 0 75 328.409 6 ↓

Analogs

34473706
34473706
34473868
34473868
34473882
34473882

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Popular Name: 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexyl-acetamide 2-[(2-chlorophenyl)methylsulfony…

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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) 3.21 3.87 -16.03 2 5 0 75 344.864 6 ↓

Analogs

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Popular Name: 2-[(2-cyanophenyl)methylsulfonyl-methyl-amino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[(2-cyanophenyl)methylsulfonyl…

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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) 2.77 6.95 -26.24 1 6 0 90 363.483 6 ↓

Analogs

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Popular Name: 2-[(2-cyanophenyl)methylsulfonyl-methyl-amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-[(2-cyanophenyl)methylsulfonyl…

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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) 2.77 6.51 -24.11 1 6 0 90 363.483 6 ↓

Analogs

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Popular Name: 2-[(2-cyanophenyl)methylsulfonyl-methyl-amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-[(2-cyanophenyl)methylsulfonyl…

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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) 2.77 6.56 -16.14 1 6 0 90 363.483 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyanophenyl)methylsulfonyl-methyl-amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-[(2-cyanophenyl)methylsulfonyl…

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) 2.77 6.99 -15.56 1 6 0 90 363.483 6 ↓

Parameters Provided:

ring.id = 50164
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 = 50164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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