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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: (4R)-4-hydroxy-1-[(4-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(4-methylthiaz…

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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) -0.06 0.58 -10.74 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(4-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(4-methylthiaz…

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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) -0.06 0.67 -11.86 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(2-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(2-methylthiaz…

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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) -0.57 0.88 -10.74 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(2-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(2-methylthiaz…

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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) -0.57 0.89 -11.69 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (4R)-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R)-1-(2,4-dimethylthia…

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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) 0.21 1.88 -11.48 1 4 0 53 240.328 2 ↓

Analogs

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Popular Name: (4R)-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S)-1-(2,4-dimethylthia…

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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) 0.21 1.89 -10.68 1 4 0 53 240.328 2 ↓

Analogs

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Popular Name: (4S)-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-hydroxy-pyrrolidin-2-one (4S)-1-[(1R)-1-(2,4-dimethylthia…

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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) 0.21 1.88 -12.18 1 4 0 53 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-hydroxy-pyrrolidin-2-one (4S)-1-[(1S)-1-(2,4-dimethylthia…

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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) 0.21 1.89 -13.26 1 4 0 53 240.328 2 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1R)-1-(2,4-dimethylthia…

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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) 0.48 5.81 -45.03 0 5 -1 73 267.33 3 ↓
Lo Low (pH 4.5-6) 0.48 3.81 -13.34 1 5 0 71 268.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1S)-1-(2,4-dimethylthia…

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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) 0.48 5.82 -43.49 0 5 -1 73 267.33 3 ↓
Lo Low (pH 4.5-6) 0.48 3.83 -12.18 1 5 0 71 268.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(1R)-1-(2,4-dimethylthia…

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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) 0.48 5.75 -46.31 0 5 -1 73 267.33 3 ↓
Lo Low (pH 4.5-6) 0.48 3.82 -14.11 1 5 0 71 268.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(1S)-1-(2,4-dimethylthia…

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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) 0.48 5.77 -50.45 0 5 -1 73 267.33 3 ↓
Lo Low (pH 4.5-6) 0.48 3.83 -16.08 1 5 0 71 268.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2-methylthiazol-5-yl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(2-methylthiazol-5-yl)me…

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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) -0.31 4.81 -43.5 0 5 -1 73 239.276 3 ↓
Lo Low (pH 4.5-6) -0.31 2.8 -12.07 1 5 0 71 240.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-methylthiazol-5-yl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(2-methylthiazol-5-yl)me…

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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) -0.31 4.75 -50.86 0 5 -1 73 239.276 3 ↓
Lo Low (pH 4.5-6) -0.31 2.81 -16.32 1 5 0 71 240.284 3 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1R)-1-(2,4-dime…

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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) -0.28 2.54 -61.68 3 4 1 61 240.352 2 ↓
Hi High (pH 8-9.5) -0.28 2.25 -9.9 2 4 0 59 239.344 2 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrolidin-2-one (4R)-4-amino-1-[(1S)-1-(2,4-dime…

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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) -0.28 2.55 -61.66 3 4 1 61 240.352 2 ↓
Hi High (pH 8-9.5) -0.28 2.26 -9.86 2 4 0 59 239.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1R)-1-(2,4-dime…

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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) -0.28 2.55 -60.53 3 4 1 61 240.352 2 ↓
Hi High (pH 8-9.5) -0.28 2.26 -11.09 2 4 0 59 239.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrolidin-2-one (4S)-4-amino-1-[(1S)-1-(2,4-dime…

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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) -0.28 2.56 -56.71 3 4 1 61 240.352 2 ↓
Hi High (pH 8-9.5) -0.28 2.27 -11.58 2 4 0 59 239.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(2-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4R)-4-amino-1-[(2-methylthiazol…

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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) -1.06 1.53 -60.66 3 4 1 61 212.298 2 ↓
Hi High (pH 8-9.5) -1.06 1.24 -9.96 2 4 0 59 211.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(2-methylthiazol-5-yl)methyl]pyrrolidin-2-one (4S)-4-amino-1-[(2-methylthiazol…

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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) -1.06 1.54 -54.75 3 4 1 61 212.298 2 ↓
Hi High (pH 8-9.5) -1.06 1.25 -10.66 2 4 0 59 211.29 2 ↓

Parameters Provided:

ring.id = 508496
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 = 508496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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