UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-hydroxy-1-(2-methylprop-2-enyl)-3-[2-oxo-2-(2-thienyl)ethyl]-indolin-2-one 3-hydroxy-1-(2-methylprop-2-enyl…

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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) 3.08 0.3 -12.73 1 4 0 57 327.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-1-(2-methylprop-2-enyl)-3-[2-oxo-2-(2-thienyl)ethyl]-indolin-2-one 3-hydroxy-1-(2-methylprop-2-enyl…

Find On: PubMed — Wikipedia — Google

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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) 3.08 0.4 -12.46 1 4 0 57 327.405 5 ↓

Analogs

542195
542195

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Popular Name: (3R)-4,6-dichloro-3-hydroxy-3-[2-keto-2-(2-thienyl)ethyl]oxindole (3R)-4,6-dichloro-3-hydroxy-3-[2…

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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) 2.90 -2.74 -9.27 2 4 0 66 342.203 3 ↓

Analogs

542194
542194

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4,6-dichloro-3-hydroxy-3-[2-keto-2-(2-thienyl)ethyl]oxindole (3S)-4,6-dichloro-3-hydroxy-3-[2…

Find On: PubMed — Wikipedia — Google

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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) 2.90 -2.63 -9.34 2 4 0 66 342.203 3 ↓

Parameters Provided:

ring.id = 4097
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 = 4097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4097&filter.purchasability=annotated

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