UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39675214
39675214
39675215
39675215
39675216
39675216
39675217
39675217

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (2R,3S)-1-butyl-2-(4-methoxyphen…

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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) 4.00 12.05 -12.17 0 6 0 59 424.541 9 ↓

Analogs

39675214
39675214
39675215
39675215
39675216
39675216
39675217
39675217

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (2S,3S)-1-butyl-2-(4-methoxyphen…

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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) 4.00 11.39 -13.82 0 6 0 59 424.541 9 ↓

Analogs

39675214
39675214
39675215
39675215
39675216
39675216
39675217
39675217

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (2R,3R)-1-butyl-2-(4-methoxyphen…

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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) 4.00 11.38 -13.17 0 6 0 59 424.541 9 ↓

Analogs

39675214
39675214
39675215
39675215
39675216
39675216
39675217
39675217

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (2S,3R)-1-butyl-2-(4-methoxyphen…

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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) 4.00 11.16 -13.5 0 6 0 59 424.541 9 ↓

Analogs

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Popular Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2R,3S)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.33 -19.87 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2S,3S)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.39 -17.41 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2R,3R)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.49 -17.27 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2S,3R)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.17 -20.29 1 8 0 86 470.566 11 ↓

Analogs

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Popular Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2R,3S)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.85 -20.94 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2S,3S)-1-butyl-2-(4-methoxyphen…

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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) 3.38 9.21 -18 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2R,3R)-1-butyl-2-(4-methoxyphen…

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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) 3.38 9.09 -18.29 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamid (2S,3R)-1-butyl-2-(4-methoxyphen…

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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) 3.38 8.23 -22.36 1 8 0 86 470.566 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-pyrrolidine-3- (2R,3S)-1-butyl-2-(4-methoxyphen…

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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) 2.83 6.66 -27.24 2 8 0 105 487.622 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-pyrrolidine-3- (2S,3S)-1-butyl-2-(4-methoxyphen…

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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) 2.83 6.98 -24.85 2 8 0 105 487.622 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-pyrrolidine-3- (2R,3R)-1-butyl-2-(4-methoxyphen…

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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) 2.83 7.06 -21.87 2 8 0 105 487.622 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-pyrrolidine-3- (2S,3R)-1-butyl-2-(4-methoxyphen…

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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) 2.83 6.73 -31.26 2 8 0 105 487.622 11 ↓

Parameters Provided:

ring.id = 103861
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 = 103861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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