UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2384865
2384865

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Popular Name: (2R,4R)-4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[2-(2-oxoaze…

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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) -2.31 3.17 -66.34 1 7 -1 101 283.304 3 ↓

Analogs

2384865
2384865

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Popular Name: (2R,4S)-4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[2-(2-oxoaze…

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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) -2.31 3.17 -68.65 1 7 -1 101 283.304 3 ↓

Analogs

2384865
2384865

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Popular Name: (2S,4R)-4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[2-(2-oxoaze…

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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) -2.31 3.25 -75.6 1 7 -1 101 283.304 3 ↓

Analogs

2384865
2384865

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[2-(2-oxoaze…

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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) -2.31 3.25 -75.57 1 7 -1 101 283.304 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(2-oxoazepan-…

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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) 0.42 6.62 -58.34 0 6 -1 81 281.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(2-oxoazepan-…

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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) 0.42 6.69 -67.16 0 6 -1 81 281.332 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-oxoazepan-1…

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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) 0.76 7.27 -52.7 0 6 -1 81 295.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-oxoazepan-1…

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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) 0.76 7.18 -66.46 0 6 -1 81 295.359 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-isopropyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-isopropyl-1-[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) -0.81 2.91 -74.73 4 7 1 97 325.433 4 ↓
Hi High (pH 8-9.5) -0.81 2.63 -24.53 3 7 0 96 324.425 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(2-oxoazepan-1-yl)a…

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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) 0.33 6.98 -62.85 0 6 -1 81 281.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(2-oxoazepan-1-yl)a…

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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) 0.33 6.96 -64.49 0 6 -1 81 281.332 4 ↓

Analogs

42434051
42434051

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Popular Name: 1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]azepan-2-one 1-[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) 0.19 3.2 -14.07 1 5 0 61 254.33 3 ↓

Analogs

42434050
42434050

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Popular Name: 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]azepan-2-one 1-[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) 0.19 3.2 -15.25 1 5 0 61 254.33 3 ↓

Parameters Provided:

ring.id = 128992
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 = 128992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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