UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34697357
34697357
34697358
34697358
34697362
34697362
34697364
34697364
34697367
34697367

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Popular Name: (3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide (3S)-N-[2-(4-fluorophenyl)ethyl]…

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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) 3.09 9.71 -16.58 1 4 0 49 354.425 6 ↓

Analogs

34697357
34697357
34697358
34697358
34697362
34697362
34697364
34697364
34697367
34697367

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Popular Name: (3R)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide (3R)-N-[2-(4-fluorophenyl)ethyl]…

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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) 3.09 9.71 -17.6 1 4 0 49 354.425 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (3S)-N-[2-(2,5-dimethoxyphenyl)e…

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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) 3.08 8.44 -18.76 1 6 0 68 396.487 8 ↓

Analogs

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Popular Name: (3S)-1-benzyl-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-1-benzyl-N-[2-(2,5-dimethox…

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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) 2.52 7.6 -15.86 1 6 0 68 382.46 8 ↓

Analogs

13009318
13009318
36062483
36062483
36062485
36062485
39634637
39634637
39634638
39634638

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Popular Name: (3S)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide (3S)-N-[2-(3,4-diethoxyphenyl)et…

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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) 3.32 10.69 -18.46 1 6 0 68 424.541 10 ↓

Analogs

36062483
36062483
36062485
36062485
39634637
39634637
39634638
39634638
13009316
13009316

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Popular Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide (3R)-N-[2-(3,4-diethoxyphenyl)et…

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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) 3.32 10.69 -17.61 1 6 0 68 424.541 10 ↓

Analogs

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Popular Name: (3R)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbox (3R)-N-[(2R)-2-(dimethylamino)-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) 2.76 10.04 -50.04 2 6 1 63 410.538 8 ↓
Mid Mid (pH 6-8) 2.76 7.51 -13.25 1 6 0 62 409.53 8 ↓

Analogs

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Popular Name: (3S)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbox (3S)-N-[(2R)-2-(dimethylamino)-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) 2.76 10.05 -49.84 2 6 1 63 410.538 8 ↓
Mid Mid (pH 6-8) 2.76 7.52 -14.62 1 6 0 62 409.53 8 ↓

Analogs

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Popular Name: (3R)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbox (3R)-N-[(2S)-2-(dimethylamino)-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) 2.76 10.06 -50.01 2 6 1 63 410.538 8 ↓
Mid Mid (pH 6-8) 2.76 8 -11.96 1 6 0 62 409.53 8 ↓

Analogs

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Popular Name: (3S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbox (3S)-N-[(2S)-2-(dimethylamino)-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) 2.76 10.07 -51.24 2 6 1 63 410.538 8 ↓
Mid Mid (pH 6-8) 2.76 8.01 -13.16 1 6 0 62 409.53 8 ↓

Analogs

8245885
8245885
8245710
8245710
8245707
8245707

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Popular Name: (3R)-1-[(3-chloro-4-fluoro-phenyl)methyl]-N-[2-(2-chlorophenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamid (3R)-1-[(3-chloro-4-fluoro-pheny…

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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) 3.87 9.95 -12.85 1 4 0 49 409.288 6 ↓

Analogs

8245885
8245885
8245710
8245710
8245707
8245707

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Popular Name: (3S)-1-[(3-chloro-4-fluoro-phenyl)methyl]-N-[2-(2-chlorophenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamid (3S)-1-[(3-chloro-4-fluoro-pheny…

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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) 3.87 9.95 -14.62 1 4 0 49 409.288 6 ↓

Analogs

21352893
21352893
12972725
12972725
12972723
12972723

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Popular Name: (3R)-1-[(3-chloro-4-fluoro-phenyl)methyl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxam (3R)-1-[(3-chloro-4-fluoro-pheny…

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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) 1.94 4.5 -21.72 3 7 0 110 453.923 7 ↓

Analogs

21352893
21352893
12972725
12972725
12972723
12972723

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Popular Name: (3S)-1-[(3-chloro-4-fluoro-phenyl)methyl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxam (3S)-1-[(3-chloro-4-fluoro-pheny…

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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) 1.94 4.5 -23.29 3 7 0 110 453.923 7 ↓

Analogs

22367037
22367037
22367033
22367033

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Popular Name: (3R)-N-[2-(2-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[2-(2-chlorophenyl)ethyl]…

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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) 3.78 9.91 -12.84 1 4 0 49 391.298 6 ↓

Analogs

22367037
22367037
22367033
22367033

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Popular Name: (3S)-N-[2-(2-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[2-(2-chlorophenyl)ethyl]…

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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) 3.78 9.91 -14.28 1 4 0 49 391.298 6 ↓

Parameters Provided:

ring.id = 11799
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 = 11799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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