UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(E)-[1-(2-aminothiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethyli 3-[(E)-[1-(2-aminothiazol-4-yl)-…

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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) -3.28 -2.41 -103.2 3 12 -2 198 431.452 7 ↓
Lo Low (pH 4.5-6) -3.28 -1.54 -84.84 4 12 -1 200 432.46 7 ↓

Analogs

33838818
33838818

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Popular Name: 2-[[1-(2-aminothiazol-4-yl)-2-[[(2R,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfo-azetidin-3-yl]amino]-2- 2-[[1-(2-aminothiazol-4-yl)-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) -4.85 -6.13 -104.08 5 16 -2 260 464.394 10 ↓

Analogs

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Popular Name: 2-[[1-(2-aminothiazol-4-yl)-2-[[(2S,3S)-2-(methoxycarbonyloxymethyl)-4-oxo-1-sulfo-azetidin-3-yl]ami 2-[[1-(2-aminothiazol-4-yl)-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) -4.69 -1.33 -105.6 3 16 -2 243 479.405 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(2-aminothiazol-4-yl)-2-[[(2R,3S)-2-(methoxycarbonyloxymethyl)-4-oxo-1-sulfo-azetidin-3-yl]ami 2-[[1-(2-aminothiazol-4-yl)-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) -4.69 -1.47 -103.9 3 16 -2 243 479.405 11 ↓

Parameters Provided:

ring.id = 472024
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 = 472024 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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