UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20614005
20614005
20614007
20614007
20614009
20614009

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Popular Name: (6S,7S)-3-(acetoxymethyl)-7-[4-(4-nitropyrazol-1-yl)butanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]o (6S,7S)-3-(acetoxymethyl)-7-[4-(…

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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) -0.63 7.19 -78.33 1 13 -1 179 452.425 10 ↓

Analogs

20614007
20614007
20614009
20614009
20614003
20614003

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-3-(acetoxymethyl)-7-[4-(4-nitropyrazol-1-yl)butanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]o (6R,7S)-3-(acetoxymethyl)-7-[4-(…

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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) -0.63 7.08 -80.28 1 13 -1 179 452.425 10 ↓

Analogs

20614009
20614009
20614003
20614003
20614005
20614005

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-3-(acetoxymethyl)-7-[4-(4-nitropyrazol-1-yl)butanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]o (6S,7R)-3-(acetoxymethyl)-7-[4-(…

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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) -0.63 7.05 -79.07 1 13 -1 179 452.425 10 ↓

Analogs

20614003
20614003
20614005
20614005

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-3-(acetoxymethyl)-7-[4-(4-nitropyrazol-1-yl)butanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]o (6R,7R)-3-(acetoxymethyl)-7-[4-(…

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) -0.63 7.11 -76.69 1 13 -1 179 452.425 10 ↓

Parameters Provided:

ring.id = 73543
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 = 73543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=73543&filter.purchasability=annotated

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