UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34850566
34850566
34850642
34850642
3979714
3979714

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Popular Name: (5S,6R)-6-[(1S)-1-hydroxyethyl]-3-[4-(morpholinomethyl)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2 (5S,6R)-6-[(1S)-1-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) 0.61 2.72 -62.11 1 7 -1 93 371.413 5 ↓
Lo Low (pH 4.5-6) 0.61 4.99 -75.09 2 7 0 94 372.421 5 ↓

Analogs

34850566
34850566
34850642
34850642
3979714
3979714

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-6-[(1R)-1-hydroxyethyl]-3-[4-(morpholinomethyl)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2 (5S,6R)-6-[(1R)-1-hydroxyethyl]-…

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) 0.61 2.78 -69.66 1 7 -1 93 371.413 5 ↓
Lo Low (pH 4.5-6) 0.61 5.04 -82.57 2 7 0 94 372.421 5 ↓

Analogs

34850566
34850566
34850642
34850642
3979714
3979714

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-6-[(1S)-1-hydroxyethyl]-3-[4-(morpholinomethyl)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2 (5R,6R)-6-[(1S)-1-hydroxyethyl]-…

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) 0.61 2.86 -62.38 1 7 -1 93 371.413 5 ↓
Lo Low (pH 4.5-6) 0.61 5.13 -76.32 2 7 0 94 372.421 5 ↓

Parameters Provided:

ring.id = 578218
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 = 578218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578218&filter.purchasability=annotated

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