UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9707293
9707293

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Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(tetrahydrofuran-2-ylmethyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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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) 1.05 -1.76 -15.25 1 7 0 81 317.345 5 ↓

Analogs

9707292
9707292

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methyl-2-oxo-indolin-3-ylidene)aminooxy-N-(tetrahydrofuran-2-ylmethyl)acetamide 2-(1-methyl-2-oxo-indolin-3-ylid…

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) 1.05 -1.68 -15.22 1 7 0 81 317.345 5 ↓

Analogs

9707376
9707376
9812933
9812933
9812940
9812940

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Popular Name: 2-(1-ethyl-2-oxo-indolin-3-ylidene)aminooxy-N-(tetrahydrofuran-2-ylmethyl)acetamide 2-(1-ethyl-2-oxo-indolin-3-ylide…

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) 1.42 -1.35 -20.89 1 7 0 81 331.372 6 ↓

Analogs

9812933
9812933
9812940
9812940
9707375
9707375

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Popular Name: 2-(1-ethyl-2-oxo-indolin-3-ylidene)aminooxy-N-(tetrahydrofuran-2-ylmethyl)acetamide 2-(1-ethyl-2-oxo-indolin-3-ylide…

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) 1.42 -1.26 -20.71 1 7 0 81 331.372 6 ↓

Parameters Provided:

ring.id = 7821
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 = 7821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7821&filter.purchasability=annotated

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