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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)-1-[[4-(chloromethyl)thiazol-2-yl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[4-(chloromethyl)thiazol…

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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) 1.42 5.23 -8.45 0 3 0 33 244.747 3 ↓

Analogs

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Popular Name: (4S)-1-[[4-(chloromethyl)thiazol-2-yl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[4-(chloromethyl)thiazol…

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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) 1.42 5.23 -8.58 0 3 0 33 244.747 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(thiazol-2-ylmethyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(thiazol-2-ylme…

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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) -0.79 0.03 -8.93 1 4 0 53 198.247 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(thiazol-2-ylmethyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(thiazol-2-ylme…

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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) -0.79 0.04 -10.05 1 4 0 53 198.247 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(4-methylthiazol-2-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) -0.57 0.64 -9.09 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(4-methylthiazol-2-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) -0.57 0.65 -10.26 1 4 0 53 212.274 2 ↓

Analogs

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Popular Name: (3R)-5-oxo-1-(thiazol-2-ylmethyl)pyrrolidine-3-carboxylic (3R)-5-oxo-1-(thiazol-2-ylmethyl…

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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) -0.53 3.96 -42.83 0 5 -1 73 225.249 3 ↓
Lo Low (pH 4.5-6) -0.53 1.95 -10.42 1 5 0 71 226.257 3 ↓

Analogs

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Popular Name: (3S)-5-oxo-1-(thiazol-2-ylmethyl)pyrrolidine-3-carboxylic (3S)-5-oxo-1-(thiazol-2-ylmethyl…

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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) -0.53 3.9 -49.74 0 5 -1 73 225.249 3 ↓
Lo Low (pH 4.5-6) -0.53 1.95 -14.71 1 5 0 71 226.257 3 ↓

Analogs

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Popular Name: (3R)-1-[(4-methylthiazol-2-yl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(4-methylthiazol-2-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 4.57 -43.07 0 5 -1 73 239.276 3 ↓
Lo Low (pH 4.5-6) -0.31 2.56 -10.5 1 5 0 71 240.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-methylthiazol-2-yl)methyl]-5-oxo-pyrrolidine-3-carboxylic (3S)-1-[(4-methylthiazol-2-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 4.51 -50.44 0 5 -1 73 239.276 3 ↓
Lo Low (pH 4.5-6) -0.31 2.56 -14.96 1 5 0 71 240.284 3 ↓

Analogs

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Popular Name: (4R)-4-amino-1-(thiazol-2-ylmethyl)pyrrolidin-2-one (4R)-4-amino-1-(thiazol-2-ylmeth…

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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) -1.28 0.68 -57.02 3 4 1 61 198.271 2 ↓
Hi High (pH 8-9.5) -1.28 0.39 -8.27 2 4 0 59 197.263 2 ↓

Analogs

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Popular Name: (4S)-4-amino-1-(thiazol-2-ylmethyl)pyrrolidin-2-one (4S)-4-amino-1-(thiazol-2-ylmeth…

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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) -1.28 0.69 -51.08 3 4 1 61 198.271 2 ↓
Hi High (pH 8-9.5) -1.28 0.4 -8.7 2 4 0 59 197.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(4-methylthiazol-2-yl)methyl]pyrrolidin-2-one (4R)-4-amino-1-[(4-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 1.29 -57.15 3 4 1 61 212.298 2 ↓
Hi High (pH 8-9.5) -1.06 1 -8.42 2 4 0 59 211.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(4-methylthiazol-2-yl)methyl]pyrrolidin-2-one (4S)-4-amino-1-[(4-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 1.3 -51.13 3 4 1 61 212.298 2 ↓
Hi High (pH 8-9.5) -1.06 1.01 -8.87 2 4 0 59 211.29 2 ↓

Parameters Provided:

ring.id = 280093
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 = 280093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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