UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402091
12402091
39881027
39881027
39881028
39881028
39881041
39881041
39881042
39881042

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Popular Name: (1R,4R)-N-(2-bromo-4-fluoro-phenyl)-7,7-dimethyl-2,3-dioxo-norbornane-1-carboxamide (1R,4R)-N-(2-bromo-4-fluoro-phen…

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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) 2.22 1.08 -9.77 1 4 0 63 368.202 2 ↓

Analogs

39881027
39881027
39881028
39881028
39881041
39881041
39881042
39881042
39881057
39881057

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Popular Name: (1S,4S)-N-(2-bromo-4-fluoro-phenyl)-7,7-dimethyl-2,3-dioxo-norbornane-1-carboxamide (1S,4S)-N-(2-bromo-4-fluoro-phen…

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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) 2.22 1.09 -10.01 1 4 0 63 368.202 2 ↓

Analogs

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Popular Name: (1S,4R)-7-chloronorbornane-2,3-dione (1S,4R)-7-chloronorbornane-2,3-d…

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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) 0.25 0.5 -11.03 0 2 0 34 158.584 0 ↓

Analogs

3650159
3650159

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Popular Name: (1R,4S)-bicyclo[2.2.1]hept-2-ene-5,6-dione (1R,4S)-bicyclo[2.2.1]hept-2-ene…

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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) -0.10 3.34 -8.43 0 2 0 34 122.123 0 ↓

Analogs

39271958
39271958
39854174
39854174
39854175
39854175

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Popular Name: (1R,4R)-N,4,7,7-tetramethyl-N-(1-methyl-4-piperidyl)-2,3-dioxo-norbornane-1-carboxamide (1R,4R)-N,4,7,7-tetramethyl-N-(1…

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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) 0.53 7.56 -44.85 1 5 1 59 321.441 2 ↓

Analogs

39854174
39854174
39854175
39854175
39271957
39271957

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4S)-N,4,7,7-tetramethyl-N-(1-methyl-4-piperidyl)-2,3-dioxo-norbornane-1-carboxamide (1S,4S)-N,4,7,7-tetramethyl-N-(1…

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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) 0.53 7.59 -43.67 1 5 1 59 321.441 2 ↓

Parameters Provided:

ring.id = 100722
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 = 100722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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