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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815556
11815556

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Popular Name: 3-[(2S)-2-[(4-fluoro-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-(2,2,2-trifluoroethyl)propana 3-[(2S)-2-[(4-fluoro-3-methoxy-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) 2.40 1.02 -19.43 2 5 0 67 376.35 8 ↓

Analogs

11815555
11815555

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Popular Name: 3-[(2R)-2-[(4-fluoro-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-(2,2,2-trifluoroethyl)propana 3-[(2R)-2-[(4-fluoro-3-methoxy-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) 2.40 1.05 -20.09 2 5 0 67 376.35 8 ↓

Analogs

11840324
11840324

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Popular Name: N-butyl-3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-methyl-propanamide N-butyl-3-[(2R)-2-[(4-fluorophen…

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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) 3.18 0.91 -16.66 1 4 0 49 334.435 8 ↓

Analogs

11840323
11840323

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Popular Name: N-butyl-3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-methyl-propanamide N-butyl-3-[(2S)-2-[(4-fluorophen…

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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) 3.18 1.1 -16.97 1 4 0 49 334.435 8 ↓

Analogs

11975048
11975048

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Popular Name: (2S)-3-methyl-2-[3-[(2R)-5-oxo-2-(p-tolylmethyl)pyrrolidin-2-yl]propanoylamino]butanamide (2S)-3-methyl-2-[3-[(2R)-5-oxo-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) 2.18 -3.79 -16.05 4 6 0 101 359.47 8 ↓

Analogs

11975045
11975045

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Popular Name: (2S)-3-methyl-2-[3-[(2S)-5-oxo-2-(p-tolylmethyl)pyrrolidin-2-yl]propanoylamino]butanamide (2S)-3-methyl-2-[3-[(2S)-5-oxo-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) 2.18 -3.31 -15.13 4 6 0 101 359.47 8 ↓

Analogs

12038573
12038573
12185011
12185011
12185014
12185014
14879820
14879820
14879821
14879821

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Popular Name: 3-[(2S)-2-[(4-fluoro-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-isopropyl-propanamide 3-[(2S)-2-[(4-fluoro-3-methoxy-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) 2.15 -0.37 -19.36 2 5 0 67 336.407 7 ↓

Analogs

12185011
12185011
12185014
12185014
14879820
14879820
14879821
14879821
12038570
12038570

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Popular Name: 3-[(2R)-2-[(4-fluoro-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-isopropyl-propanamide 3-[(2R)-2-[(4-fluoro-3-methoxy-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) 2.15 -0.35 -20.12 2 5 0 67 336.407 7 ↓

Analogs

12039125
12039125

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Popular Name: methyl 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) 2.95 1.01 -14.88 2 7 0 94 422.497 11 ↓

Analogs

12039119
12039119

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Popular Name: methyl 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) 2.95 1.47 -17.42 2 7 0 94 422.497 11 ↓

Analogs

12040370
12040370
12040375
12040375
12040378
12040378

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Popular Name: 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-sec-butyl-propanamide 3-[(2R)-2-[(3,4-dimethoxyphenyl)…

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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) 2.19 -0.36 -19.61 2 6 0 77 362.47 9 ↓

Analogs

12040375
12040375
12040378
12040378
12040365
12040365

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Popular Name: 3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-sec-butyl-propanamide 3-[(2R)-2-[(3,4-dimethoxyphenyl)…

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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) 2.19 -0.4 -19.18 2 6 0 77 362.47 9 ↓

Analogs

12040378
12040378
12040365
12040365
12040370
12040370

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-sec-butyl-propanamide 3-[(2S)-2-[(3,4-dimethoxyphenyl)…

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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) 2.19 -0.42 -18.51 2 6 0 77 362.47 9 ↓

Analogs

12040365
12040365
12040370
12040370

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-sec-butyl-propanamide 3-[(2S)-2-[(3,4-dimethoxyphenyl)…

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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) 2.19 -0.42 -18.57 2 6 0 77 362.47 9 ↓

Parameters Provided:

ring.id = 48206
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 = 48206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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