UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20891833
20891833
55625202
55625202
55625203
55625203

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-5-oxo-1-phenyl-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[(3S)-5-oxo-1-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) 1.63 7.31 -24.5 1 7 0 73 438.503 6 ↓

Analogs

55625202
55625202
55625203
55625203
20891829
20891829

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-5-oxo-1-phenyl-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[(3R)-5-oxo-1-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) 1.63 7.36 -20.23 1 7 0 73 438.503 6 ↓

Analogs

20891841
20891841
55625202
55625202
55625203
55625203

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[(3S)-5-oxo-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) 2.07 7.97 -24.49 1 7 0 73 452.53 6 ↓

Analogs

55625202
55625202
55625203
55625203
20891837
20891837

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[(3R)-5-oxo-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) 2.07 8.03 -20.21 1 7 0 73 452.53 6 ↓

Analogs

20891847
20891847

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzami 4-fluoro-N-[2-[4-[(3S)-1-(4-meth…

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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) 1.68 6.62 -25.57 1 8 0 82 468.529 7 ↓

Analogs

20891844
20891844

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzami 4-fluoro-N-[2-[4-[(3R)-1-(4-meth…

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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) 1.68 6.68 -20.83 1 8 0 82 468.529 7 ↓

Analogs

20891856
20891856

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamid 4-fluoro-N-[2-[4-[(3S)-1-(4-fluo…

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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) 1.79 7.38 -23.93 1 7 0 73 456.493 6 ↓

Analogs

20891852
20891852

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamid 4-fluoro-N-[2-[4-[(3R)-1-(4-fluo…

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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) 1.79 7.21 -23.25 1 7 0 73 456.493 6 ↓

Analogs

20891864
20891864

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Popular Name: N-[2-[4-[(3S)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluoro-benzami N-[2-[4-[(3S)-1-(4-chlorophenyl)…

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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) 2.30 7.84 -23.42 1 7 0 73 472.948 6 ↓

Analogs

20891860
20891860

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Popular Name: N-[2-[4-[(3R)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluoro-benzami N-[2-[4-[(3R)-1-(4-chlorophenyl)…

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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) 2.30 7.67 -22.81 1 7 0 73 472.948 6 ↓

Analogs

20891872
20891872

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Popular Name: N-[2-[4-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluoro-ben N-[2-[4-[(3S)-1-(3,4-dimethylphe…

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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) 2.45 8.71 -20.8 1 7 0 73 466.557 6 ↓

Analogs

20891868
20891868

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Popular Name: N-[2-[4-[(3R)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluoro-ben N-[2-[4-[(3R)-1-(3,4-dimethylphe…

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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) 2.45 8.57 -20.46 1 7 0 73 466.557 6 ↓

Analogs

20891908
20891908

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamid 4-fluoro-N-[2-[4-[(3S)-1-(3-fluo…

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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) 1.76 7.27 -21.96 1 7 0 73 456.493 6 ↓

Analogs

20891904
20891904

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamid 4-fluoro-N-[2-[4-[(3R)-1-(3-fluo…

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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) 1.76 7.44 -22.01 1 7 0 73 456.493 6 ↓

Analogs

20891923
20891923

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Popular Name: 4-fluoro-N-[2-[4-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzami 4-fluoro-N-[2-[4-[(3S)-1-(3-meth…

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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) 1.66 6.66 -25.45 1 8 0 82 468.529 7 ↓

Analogs

20891918
20891918

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Popular Name: 4-fluoro-N-[2-[4-[(3R)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzami 4-fluoro-N-[2-[4-[(3R)-1-(3-meth…

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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) 1.66 6.65 -24.57 1 8 0 82 468.529 7 ↓

Parameters Provided:

ring.id = 76898
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 = 76898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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