UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-butyl-N-cyclopropyl-2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetamide N-butyl-N-cyclopropyl-2-[(4R)-2,…

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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) 1.56 1.75 -9.43 2 6 0 79 253.302 6 ↓
Hi High (pH 8-9.5) 1.75 -0.9 -42.16 1 6 -1 85 252.294 6 ↓

Analogs

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Popular Name: N-butyl-N-cyclopropyl-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide N-butyl-N-cyclopropyl-2-[(4S)-2,…

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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) 1.56 1.81 -9.37 2 6 0 79 253.302 6 ↓
Hi High (pH 8-9.5) 1.75 -0.84 -42.13 1 6 -1 85 252.294 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-isopentyl-acetamide N-cyclopropyl-2-[(4R)-2,5-dioxoi…

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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) 1.78 2.28 -9.34 2 6 0 79 267.329 6 ↓
Hi High (pH 8-9.5) 1.97 -0.37 -42.24 1 6 -1 85 266.321 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-isopentyl-acetamide N-cyclopropyl-2-[(4S)-2,5-dioxoi…

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) 1.78 2.32 -9.3 2 6 0 79 267.329 6 ↓
Hi High (pH 8-9.5) 1.97 -0.33 -42.17 1 6 -1 85 266.321 6 ↓

Parameters Provided:

ring.id = 89874
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 = 89874 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=89874&filter.purchasability=annotated

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