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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.59 7.36 -52.83 2 6 0 87 342.193 4 ↓
Hi High (pH 8-9.5) 1.40 6.52 -57.63 1 6 -1 93 341.185 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.59 7.33 -56.79 2 6 0 87 342.193 4 ↓
Hi High (pH 8-9.5) 1.40 6.5 -56.39 1 6 -1 93 341.185 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(3,5-dichloro-2-pyrid…

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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) 2.06 7.85 -49.57 2 6 0 87 332.187 4 ↓
Mid Mid (pH 6-8) 1.88 7.1 -54.29 1 6 -1 93 331.179 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(3,5-dichloro-2-pyrid…

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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) 2.06 7.81 -52.55 2 6 0 87 332.187 4 ↓
Mid Mid (pH 6-8) 1.88 7.08 -54.46 1 6 -1 93 331.179 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.92 7.86 -55.75 2 6 0 87 356.22 5 ↓
Hi High (pH 8-9.5) 1.74 7.02 -56.88 1 6 -1 93 355.212 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.92 7.82 -51.12 2 6 0 87 356.22 5 ↓
Hi High (pH 8-9.5) 1.74 6.97 -55.76 1 6 -1 93 355.212 5 ↓

Analogs

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Popular Name: (2R)-1-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-[2-[(5-chloro-2-pyridyl)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) 1.88 5.87 -48.23 3 6 1 76 365.763 6 ↓
Hi High (pH 8-9.5) 1.70 2.82 -49.46 1 6 -1 81 363.747 6 ↓
Mid Mid (pH 6-8) 1.88 3.85 -19.39 2 6 0 74 364.755 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-[2-[(5-chloro-2-pyridyl)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) 1.88 5.81 -49.47 3 6 1 76 365.763 6 ↓
Hi High (pH 8-9.5) 1.70 2.97 -48.56 1 6 -1 81 363.747 6 ↓
Mid Mid (pH 6-8) 1.88 3.98 -20.74 2 6 0 74 364.755 6 ↓

Analogs

42162923
42162923
42162925
42162925

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.09 4.65 -44.42 3 6 1 76 342.217 4 ↓
Hi High (pH 8-9.5) 1.09 2.51 -20.15 2 6 0 74 341.209 4 ↓

Analogs

42162923
42162923
42162925
42162925

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[(5-bromo-2-pyridyl)am…

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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) 1.09 4.63 -48.02 3 6 1 76 342.217 4 ↓
Hi High (pH 8-9.5) 1.09 2.81 -22.87 2 6 0 74 341.209 4 ↓

Parameters Provided:

ring.id = 9449
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 = 9449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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