UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44615344
44615344
44615347
44615347
49477981
49477981
28641738
28641738
28641739
28641739

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Popular Name: (2R)-1-[1-(m-tolyl)cyclobutanecarbonyl]pyrrolidine-2-carboxylic (2R)-1-[1-(m-tolyl)cyclobutaneca…

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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) 0.61 9.45 -67.47 0 4 -1 60 286.351 3 ↓

Analogs

44615344
44615344
44615347
44615347
49477981
49477981
28641738
28641738
28641739
28641739

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[1-(m-tolyl)cyclobutanecarbonyl]pyrrolidine-2-carboxylic (2S)-1-[1-(m-tolyl)cyclobutaneca…

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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) 0.61 9.77 -66.63 0 4 -1 60 286.351 3 ↓

Analogs

44613164
44613164
44613167
44613167
28641738
28641738
28641739
28641739

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Popular Name: (2R)-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2R)-1-(1-phenylcyclobutanecarbo…

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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) 0.18 8.79 -66.77 0 4 -1 60 272.324 3 ↓

Analogs

44613164
44613164
44613167
44613167
28641738
28641738
28641739
28641739

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2S)-1-(1-phenylcyclobutanecarbo…

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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) 0.18 9.1 -66.93 0 4 -1 60 272.324 3 ↓

Analogs

22224242
22224242
22224244
22224244

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Popular Name: (2R,4R)-4-hydroxy-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(1-phenylcyc…

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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) -0.73 5.4 -67.88 1 5 -1 81 288.323 3 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(1-phenylcyc…

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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) -0.73 5.4 -69.02 1 5 -1 81 288.323 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(1-phenylcyc…

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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) -0.73 5.71 -69 1 5 -1 81 288.323 3 ↓

Analogs

22224242
22224242
22224244
22224244

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(1-phenylcyc…

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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) -0.73 5.71 -68.27 1 5 -1 81 288.323 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-phenylcyclobu…

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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) 1.99 8.85 -52.03 0 4 -1 60 286.351 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1-phenylcyclobutanecarbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-phenylcyclobu…

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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) 1.99 8.83 -57.8 0 4 -1 60 286.351 3 ↓

Analogs

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Popular Name: (3S)-1-[1-(3,5-dimethylphenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide (3S)-1-[1-(3,5-dimethylphenyl)cy…

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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) 2.06 5.79 -17.82 2 4 0 63 300.402 3 ↓

Analogs

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Popular Name: (3R)-1-[1-(3,5-dimethylphenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide (3R)-1-[1-(3,5-dimethylphenyl)cy…

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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) 2.06 5.87 -17.79 2 4 0 63 300.402 3 ↓

Analogs

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Popular Name: (1-phenylcyclobutyl)-pyrrolidin-1-yl-methanone (1-phenylcyclobutyl)-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) 2.40 7.83 -8.77 0 2 0 20 229.323 2 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[1-(4-chloroph…

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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) 1.44 6.13 -69.96 4 5 1 77 364.897 4 ↓
Hi High (pH 8-9.5) 1.44 5.84 -14.91 3 5 0 75 363.889 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(1-phenylcyclobutanecarbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(1-phenylcyclobutaneca…

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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) 1.91 9.98 -68.7 0 4 -1 60 286.351 4 ↓

Parameters Provided:

ring.id = 127733
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 = 127733 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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