UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[butyl(methyl)amino]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide 4-[butyl(methyl)amino]-N-cyclopr…

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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) 2.33 7.2 -13.45 0 5 0 58 364.511 7 ↓

Analogs

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Popular Name: 4-[butyl(methyl)amino]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide 4-[butyl(methyl)amino]-N-cyclopr…

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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) 2.33 7.31 -15.92 0 5 0 58 364.511 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-[methyl(propyl)amino]benzamide N-cyclopropyl-N-[(3S)-1,1-dioxot…

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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 6.53 -16.07 0 5 0 58 350.484 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-5-nitro-benzamide N-cyclopropyl-N-[(3R)-1,1-dioxot…

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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) 1.12 5.4 -18.43 0 7 0 100 338.385 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-5-nitro-benzamide N-cyclopropyl-N-[(3S)-1,1-dioxot…

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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) 1.12 5.42 -22.33 0 7 0 100 338.385 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(trifluoromethyl)benzamide N-cyclopropyl-N-[(3R)-1,1-dioxot…

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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) 1.64 5.24 -15.87 0 4 0 54 347.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(trifluoromethyl)benzamide N-cyclopropyl-N-[(3S)-1,1-dioxot…

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) 1.64 5 -17.62 0 4 0 54 347.358 4 ↓

Parameters Provided:

ring.id = 199274
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 = 199274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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