UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37076092
37076092
37076093
37076093

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Popular Name: (3R)-N-(6-morpholino-3-pyridyl)tetrahydrofuran-3-carboxamide (3R)-N-(6-morpholino-3-pyridyl)t…

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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) 0.82 2.97 -11.62 1 6 0 64 277.324 3 ↓
Mid Mid (pH 6-8) 0.82 3.3 -36.75 2 6 1 65 278.332 3 ↓

Analogs

37076092
37076092
37076093
37076093

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(6-morpholino-3-pyridyl)tetrahydrofuran-3-carboxamide (3S)-N-(6-morpholino-3-pyridyl)t…

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) 0.82 2.97 -10.83 1 6 0 64 277.324 3 ↓
Mid Mid (pH 6-8) 0.82 3.31 -36.54 2 6 1 65 278.332 3 ↓

Parameters Provided:

ring.id = 334456
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 = 334456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=334456&filter.purchasability=annotated

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