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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-1-(2-imidazol-1-ylethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(2-imidazol-1-ylethyl)-5-…

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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) -2.48 7.4 -53.43 1 6 0 80 223.232 4 ↓
Mid Mid (pH 6-8) -2.48 6.88 -46.2 0 6 -1 78 222.224 4 ↓

Analogs

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Popular Name: (2R)-1-(2-imidazol-1-ylethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(2-imidazol-1-ylethyl)-5-…

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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) -2.48 6.94 -47.91 1 6 0 80 223.232 4 ↓
Mid Mid (pH 6-8) -2.48 6.43 -44.63 0 6 -1 78 222.224 4 ↓

Analogs

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Popular Name: (2S)-1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-methylimidazol-1-yl…

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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) -2.39 7.15 -50.16 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -2.39 6.68 -46.14 0 6 -1 78 236.251 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-methylimidazol-1-yl…

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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) -2.39 6.69 -44.04 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -2.39 6.22 -44.87 0 6 -1 78 236.251 4 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S)-2-imidazo…

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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) -0.84 3.7 -39.22 2 5 1 60 210.257 3 ↓
Mid Mid (pH 6-8) -0.84 3.18 -10.01 1 5 0 58 209.249 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R)-2-imidazo…

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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) -0.84 3.64 -32.76 2 5 1 60 210.257 3 ↓
Mid Mid (pH 6-8) -0.84 3.12 -10.92 1 5 0 58 209.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1S)-2-imidazo…

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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) -0.84 3.7 -36.26 2 5 1 60 210.257 3 ↓
Mid Mid (pH 6-8) -0.84 3.18 -11.64 1 5 0 58 209.249 3 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1R)-2-imidazo…

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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) -0.84 3.64 -36.62 2 5 1 60 210.257 3 ↓
Mid Mid (pH 6-8) -0.84 3.12 -10.77 1 5 0 58 209.249 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(2-imidazol-1-ylethyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(2-imidazol-1-y…

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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) -1.17 2.95 -39.55 2 5 1 60 196.23 3 ↓
Mid Mid (pH 6-8) -1.17 2.44 -13.12 1 5 0 58 195.222 3 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(2-imidazol-1-ylethyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(2-imidazol-1-y…

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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) -1.17 2.96 -38.42 2 5 1 60 196.23 3 ↓
Mid Mid (pH 6-8) -1.17 2.45 -12.56 1 5 0 58 195.222 3 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1S)-2-imidazol-1-yl-1-m…

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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) -0.58 7.63 -59.11 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -0.58 7.11 -45.49 0 6 -1 78 236.251 4 ↓
Lo Low (pH 4.5-6) -0.58 5.63 -41.87 2 6 1 77 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1R)-2-imidazol-1-yl-1-m…

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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) -0.58 7.56 -45.26 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -0.58 7.05 -49.48 0 6 -1 78 236.251 4 ↓
Lo Low (pH 4.5-6) -0.58 5.57 -33.95 2 6 1 77 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(1S)-2-imidazol-1-yl-1-m…

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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) -0.58 7.29 -43.55 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -0.58 6.77 -49.75 0 6 -1 78 236.251 4 ↓
Lo Low (pH 4.5-6) -0.58 5.1 -35.65 2 6 1 77 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(1R)-2-imidazol-1-yl-1-m…

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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) -0.58 7.51 -59.4 1 6 0 80 237.259 4 ↓
Mid Mid (pH 6-8) -0.58 7 -46.98 0 6 -1 78 236.251 4 ↓
Lo Low (pH 4.5-6) -0.58 5.58 -40.84 2 6 1 77 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S)-2-imidazol-…

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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) -1.33 4.36 -105.3 4 5 2 67 210.281 3 ↓
Hi High (pH 8-9.5) -1.33 3.55 -9.08 2 5 0 64 208.265 3 ↓
Mid Mid (pH 6-8) -1.33 3.84 -57.15 3 5 1 66 209.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R)-2-imidazol-…

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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) -1.33 4.3 -106.51 4 5 2 67 210.281 3 ↓
Hi High (pH 8-9.5) -1.33 3.49 -8.75 2 5 0 64 208.265 3 ↓
Mid Mid (pH 6-8) -1.33 3.78 -54.9 3 5 1 66 209.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1S)-2-imidazol-…

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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) -1.33 4.41 -109.6 4 5 2 67 210.281 3 ↓
Hi High (pH 8-9.5) -1.33 3.55 -9.38 2 5 0 64 208.265 3 ↓
Mid Mid (pH 6-8) -1.33 3.89 -51.43 3 5 1 66 209.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1R)-2-imidazol-…

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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) -1.33 4.31 -98.87 4 5 2 67 210.281 3 ↓
Hi High (pH 8-9.5) -1.33 3.5 -9.61 2 5 0 64 208.265 3 ↓
Mid Mid (pH 6-8) -1.33 3.8 -54.94 3 5 1 66 209.273 3 ↓

Parameters Provided:

ring.id = 216838
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 = 216838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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