UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14241261
14241261

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Popular Name: (5R)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-(2,5-dimethyl-1H-pyrro…

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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) 1.53 7.1 -13.77 2 6 0 82 337.379 3 ↓

Analogs

14241260
14241260

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Popular Name: (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-(2,5-dimethyl-1H-pyrro…

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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) 1.53 7.1 -15.56 2 6 0 82 337.379 3 ↓

Analogs

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Popular Name: (5R)-3-[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]spiro[imidazolidine-5,1'-indane] (5R)-3-[2-keto-2-[1-(2-methoxyet…

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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) 1.58 -0.52 -13.87 1 7 0 80 395.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]spiro[imidazolidine-5,1'-indane] (5S)-3-[2-keto-2-[1-(2-methoxyet…

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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) 1.58 -0.49 -15.65 1 7 0 80 395.459 6 ↓

Analogs

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Popular Name: (5R)-3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quino (5R)-3-[2-(1-allyl-2,5-dimethyl-…

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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) 2.24 0.63 -14.07 1 6 0 71 377.444 5 ↓

Analogs

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Popular Name: (5S)-3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quino (5S)-3-[2-(1-allyl-2,5-dimethyl-…

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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) 2.24 0.66 -16.01 1 6 0 71 377.444 5 ↓

Analogs

8890241
8890241
8890243
8890243
8890363
8890363
8890364
8890364

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Popular Name: (5R)-3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quin (5R)-3-[2-(2,5-dimethyl-1-propyl…

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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) 2.47 0.25 -13.83 1 6 0 71 379.46 5 ↓

Analogs

8890241
8890241
8890243
8890243
8890363
8890363
8890364
8890364

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-quin (5S)-3-[2-(2,5-dimethyl-1-propyl…

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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) 2.47 0.28 -15.78 1 6 0 71 379.46 5 ↓

Parameters Provided:

ring.id = 236526
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 = 236526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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