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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(E)-C-[[(2R,3S)-2-acetoxy-1-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-4-oxo-azetid (2S)-4-[4-[(E)-C-[[(2R,3S)-2-ace…

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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) -2.79 2.14 -97.05 6 15 -1 246 557.492 13 ↓
Hi High (pH 8-9.5) -2.79 3.24 -168.56 4 15 -3 247 555.476 13 ↓
Hi High (pH 8-9.5) -2.79 2.21 -110.38 5 15 -2 244 556.484 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(E)-C-[[(2S,3S)-2-acetoxy-1-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-4-oxo-azetid (2S)-4-[4-[(E)-C-[[(2S,3S)-2-ace…

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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) -2.79 1.88 -95.62 6 15 -1 246 557.492 13 ↓
Hi High (pH 8-9.5) -2.79 2.89 -144 5 15 -2 248 556.484 13 ↓
Hi High (pH 8-9.5) -2.79 1.96 -108.47 5 15 -2 244 556.484 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(E)-C-[[(2R,3R)-2-acetoxy-1-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-4-oxo-azetid (2S)-4-[4-[(E)-C-[[(2R,3R)-2-ace…

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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) -2.79 1.92 -98.1 6 15 -1 246 557.492 13 ↓
Hi High (pH 8-9.5) -2.79 3 -175.34 4 15 -3 247 555.476 13 ↓
Hi High (pH 8-9.5) -2.79 1.99 -108.14 5 15 -2 244 556.484 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[4-[(E)-C-[[(2S,3R)-2-acetoxy-1-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]-4-oxo-azetid (2S)-4-[4-[(E)-C-[[(2S,3R)-2-ace…

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) -2.79 2.11 -97.18 6 15 -1 246 557.492 13 ↓
Hi High (pH 8-9.5) -2.79 2.18 -107.13 5 15 -2 244 556.484 13 ↓
Hi High (pH 8-9.5) -2.79 3.11 -151.47 5 15 -2 248 556.484 13 ↓

Parameters Provided:

ring.id = 197493
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 = 197493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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