UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-(2-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) 0.86 4.99 -11.57 2 5 0 67 289.379 4 ↓
Mid Mid (pH 6-8) 0.86 5.11 -43.23 3 5 1 68 290.387 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-(2-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) 0.86 5.05 -14.5 2 5 0 67 289.379 4 ↓
Mid Mid (pH 6-8) 0.86 5.36 -56.57 3 5 1 68 290.387 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide 2-(3-aminophenyl)-N-methyl-N-(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) 0.27 5.39 -16.28 2 5 0 67 275.352 4 ↓

Analogs

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Popular Name: N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-(3,4,5-trimethoxyphenyl)acetamide N-(2-oxo-2-pyrrolidin-1-yl-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) 0.61 4.28 -16.02 1 7 0 77 336.388 7 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide 2-(3,4-dichlorophenyl)-N-(2-oxo-…

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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) 2.26 6.13 -10.84 1 4 0 49 315.2 4 ↓

Analogs

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Popular Name: N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-[3-(trifluoromethyl)phenyl]acetamide N-(2-oxo-2-pyrrolidin-1-yl-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) 1.85 6.16 -11.01 1 4 0 49 314.307 5 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-2-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)propanamide 2-(2-fluorophenyl)-2-methyl-N-(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) 2.06 6.06 -11.48 1 4 0 49 292.354 4 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[2-[[2-(2-nitrophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide (2S)-N-methyl-1-[2-[[2-(2-nitrop…

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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) -0.02 4.7 -23.13 2 9 0 124 348.359 6 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[2-[[2-(2-nitrophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide (2R)-N-methyl-1-[2-[[2-(2-nitrop…

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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) -0.02 4.98 -25.07 2 9 0 124 348.359 6 ↓

Analogs

49464916
49464916

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Popular Name: 2-(4-chlorophenyl)-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]acetamide 2-(4-chlorophenyl)-N-[(1S)-1-met…

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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 6.3 -9.89 1 4 0 49 294.782 4 ↓

Analogs

36195998
36195998
36791810
36791810
37269952
37269952
37269986
37269986

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Popular Name: 2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide 2-(4-aminophenyl)-N-methyl-N-(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) 0.30 5.4 -16.22 2 5 0 67 275.352 4 ↓

Analogs

37271645
37271645
37271647
37271647
36134722
36134722

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Popular Name: (2R)-2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-acetamide (2R)-2-amino-N-methyl-N-(2-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) -1.47 4.23 -13.52 2 5 0 67 275.352 4 ↓
Mid Mid (pH 6-8) -1.47 4.57 -43.82 3 5 1 68 276.36 4 ↓

Analogs

37271645
37271645
37271647
37271647
36134722
36134722

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-acetamide (2S)-2-amino-N-methyl-N-(2-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) -1.47 4.26 -15.59 2 5 0 67 275.352 4 ↓
Mid Mid (pH 6-8) -1.47 4.58 -49.21 3 5 1 68 276.36 4 ↓

Analogs

36133810
36133810
36133811
36133811
36199526
36199526
36199528
36199528
37271098
37271098

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Popular Name: (2R)-2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-acetamide (2R)-2-chloro-N-methyl-N-(2-oxo-…

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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) 1.61 7.91 -16.2 0 4 0 41 294.782 4 ↓

Analogs

36133810
36133810
36133811
36133811
36199526
36199526
36199528
36199528
37271098
37271098

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-acetamide (2S)-2-chloro-N-methyl-N-(2-oxo-…

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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) 1.61 7.93 -14.91 0 4 0 41 294.782 4 ↓

Parameters Provided:

ring.id = 30526
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 = 30526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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