UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -1.57 0.62 -14.84 1 8 0 102 303.34 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -1.70 -3.35 -15.56 3 8 0 123 275.286 5 ↓
Mid Mid (pH 6-8) -1.25 -5.05 -38.9 2 8 -1 126 274.278 5 ↓
Mid Mid (pH 6-8) -1.25 -5.89 -49.77 2 8 -1 126 274.278 5 ↓

Analogs

42455412
42455412
42455413
42455413

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Popular Name: N-(3-aminopropyl)-N-cyclopropyl-1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonamide N-(3-aminopropyl)-N-cyclopropyl-…

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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) -1.86 1.62 -51.96 3 8 1 109 317.391 6 ↓

Parameters Provided:

ring.id = 63914
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 = 63914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63914&filter.purchasability=annotated

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