UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[2-(4-methyl…

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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) -1.82 2.56 -54.64 2 7 -1 110 291.283 3 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[2-(4-methyl…

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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) -1.82 2.56 -55.1 2 7 -1 110 291.283 3 ↓

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[2-(4-methyl…

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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) -1.82 2.91 -54.27 2 7 -1 110 291.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[2-(4-methyl…

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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) -1.82 2.91 -53.83 2 7 -1 110 291.283 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(4-methylanil…

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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) 0.91 5.86 -46.7 1 6 -1 90 289.311 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(4-methylanil…

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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) 0.91 5.93 -50.2 1 6 -1 90 289.311 3 ↓

Analogs

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Popular Name: N-[3-[isopropyl(methyl)amino]phenyl]-2-oxo-2-pyrrolidin-1-yl-acetamide N-[3-[isopropyl(methyl)amino]phe…

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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) 1.62 6.06 -7.05 1 5 0 53 289.379 4 ↓
Lo Low (pH 4.5-6) 1.62 6.51 -26.93 2 5 0 54 290.387 4 ↓

Analogs

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Popular Name: N-[3-chloro-2-(dimethylamino)phenyl]-2-oxo-2-pyrrolidin-1-yl-acetamide N-[3-chloro-2-(dimethylamino)phe…

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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) 1.55 6.29 -5.82 1 5 0 53 295.77 3 ↓

Analogs

34655260
34655260

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Popular Name: 4-[methyl-(2-oxo-2-pyrrolidin-1-yl-acetyl)amino]benzamide 4-[methyl-(2-oxo-2-pyrrolidin-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) -0.07 2.57 -13.44 2 6 0 84 275.308 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-ethoxy-phenyl)-2-oxo-2-pyrrolidin-1-yl-acetamide N-(3-chloro-2-ethoxy-phenyl)-2-o…

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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) 1.88 5.25 -6.55 1 5 0 59 296.754 4 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)-2-oxo-2-pyrrolidin-1-yl-acetamide N-(2,3-difluorophenyl)-2-oxo-2-p…

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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) 1.10 4.39 -7.42 1 4 0 49 254.236 2 ↓

Analogs

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Popular Name: 3-methyl-4-[(2-oxo-2-pyrrolidin-1-yl-acetyl)amino]benzamide 3-methyl-4-[(2-oxo-2-pyrrolidin-…

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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) 0.07 1.92 -11.05 3 6 0 93 275.308 3 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[2-(2-fluoroanilino)-2-oxo-acetyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[2-(2-fluoroan…

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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) -0.66 1.61 -61.94 5 7 1 106 337.375 4 ↓
Hi High (pH 8-9.5) -0.66 1.33 -13.95 4 7 0 105 336.367 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(4-methylanilino)-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) 0.82 6.19 -48.35 1 6 -1 90 289.311 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-[2-(4-methylanilino)-2-oxo-acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(4-methylanilino)-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) 0.82 6.21 -48.01 1 6 -1 90 289.311 4 ↓

Parameters Provided:

ring.id = 129032
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 = 129032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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