UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6789236
6789236
6789237
6789237

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Popular Name: (5R)-3-[2-(2-chlorophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5R)-3-[2-(2-chlorophenoxy)ethyl…

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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) 3.40 -1.62 -11.51 1 5 0 58 356.809 4 ↓

Analogs

6789236
6789236
6789237
6789237

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Popular Name: (5S)-3-[2-(2-chlorophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5S)-3-[2-(2-chlorophenoxy)ethyl…

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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) 3.40 -1.63 -12.3 1 5 0 58 356.809 4 ↓

Analogs

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Popular Name: (5R)-3-[2-(3-bromophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5R)-3-[2-(3-bromophenoxy)ethyl]…

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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) 3.56 -2.27 -9.81 1 5 0 58 401.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(3-bromophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5S)-3-[2-(3-bromophenoxy)ethyl]…

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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) 3.56 -2.29 -10.45 1 5 0 58 401.26 4 ↓

Analogs

3354064
3354064
3354065
3354065

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Popular Name: (5R)-3-[2-(4-methoxyphenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5R)-3-[2-(4-methoxyphenoxy)ethy…

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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) 2.83 -1.51 -11.41 1 6 0 67 352.39 5 ↓

Analogs

3354064
3354064
3354065
3354065

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(4-methoxyphenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5S)-3-[2-(4-methoxyphenoxy)ethy…

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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) 2.83 -1.53 -12.17 1 6 0 67 352.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(4-bromophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5R)-3-[2-(4-bromophenoxy)ethyl]…

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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) 3.58 -2.27 -9.58 1 5 0 58 401.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(4-bromophenoxy)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quinone (5S)-3-[2-(4-bromophenoxy)ethyl]…

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) 3.58 -2.29 -10.36 1 5 0 58 401.26 4 ↓

Parameters Provided:

ring.id = 245801
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 = 245801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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