UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-8-(cyclobutanecarbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-di (3S)-8-(cyclobutanecarbonyl)-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) 0.79 5.53 -16 1 9 0 101 445.516 5 ↓

Analogs

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Popular Name: (3R)-8-(cyclobutanecarbonyl)-4-(furan-2-carbonyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-di (3R)-8-(cyclobutanecarbonyl)-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) 0.79 5.36 -15.1 1 9 0 101 445.516 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-(cyclobutanecarbonyl)-4-(furan-2-carbonyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-di (3S)-8-(cyclobutanecarbonyl)-4-(…

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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) 0.79 5.54 -16.76 1 9 0 101 445.516 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(cyclobutanecarbonyl)-4-(furan-2-carbonyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-oxa-4,8-di (3R)-8-(cyclobutanecarbonyl)-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) 0.79 5.4 -15.93 1 9 0 101 445.516 5 ↓

Parameters Provided:

ring.id = 21113
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 = 21113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=21113&filter.purchasability=annotated

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