UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35221120
35221120
35221121
35221121

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Popular Name: (2R)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-(4-methyl-2-oxo-thiazo…

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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) -1.86 5.51 -72.64 0 6 -1 82 269.302 3 ↓

Analogs

35221120
35221120
35221121
35221121

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Popular Name: (2S)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-(4-methyl-2-oxo-thiazo…

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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) -1.86 5.6 -62.1 0 6 -1 82 269.302 3 ↓

Analogs

43964998
43964998
30847908
30847908
30847915
30847915
35221120
35221120
35221121
35221121

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Popular Name: (2R,4R)-4-hydroxy-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[2-(4-methyl…

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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) -2.78 2.12 -74.16 1 7 -1 103 285.301 3 ↓

Analogs

43964998
43964998
30847908
30847908
30847915
30847915
35221120
35221120
35221121
35221121

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[2-(4-methyl…

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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) -2.78 2.12 -74.02 1 7 -1 103 285.301 3 ↓

Analogs

43964998
43964998
30847908
30847908
30847915
30847915
35221120
35221120
35221121
35221121

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[2-(4-methyl…

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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) -2.78 2.21 -64.78 1 7 -1 103 285.301 3 ↓

Analogs

43964998
43964998
30847908
30847908
30847915
30847915
35221120
35221120
35221121
35221121

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[2-(4-methyl…

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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) -2.78 2.21 -62.62 1 7 -1 103 285.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(4-methyl-2-o…

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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) -0.05 5.59 -56.92 0 6 -1 82 283.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(4-methyl-2-o…

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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) -0.05 5.66 -66.23 0 6 -1 82 283.329 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(4-methyl-2-ox…

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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 6.27 -51.29 0 6 -1 82 297.356 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(4-methyl-2-ox…

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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 6.18 -65.44 0 6 -1 82 297.356 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-(4-methyl-2-oxo-thiazo…

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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 7.04 -51.46 0 6 -1 82 311.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-(4-methyl-2-oxo-thiazo…

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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 6.94 -65.88 0 6 -1 82 311.383 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(4-methyl-2-oxo-thi…

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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) -0.14 5.94 -62.7 0 6 -1 82 283.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(4-methyl-2-oxo-thi…

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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) -0.14 5.92 -60.47 0 6 -1 82 283.329 4 ↓

Analogs

42434211
42434211

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Popular Name: 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-thiazol-2-one 3-[2-[(2R)-2-(hydroxymethyl)pyrr…

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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) -0.29 2.15 -16.35 1 5 0 63 256.327 3 ↓

Analogs

42434210
42434210

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Popular Name: 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-thiazol-2-one 3-[2-[(2S)-2-(hydroxymethyl)pyrr…

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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) -0.29 2.15 -15.19 1 5 0 63 256.327 3 ↓

Parameters Provided:

ring.id = 103392
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 = 103392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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