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Popular Name: 1-[2-(2-aminophenyl)ethyl]quinolin-2-one 1-[2-(2-aminophenyl)ethyl]quinol…

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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) 2.92 8.01 -11.54 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[2-(4-aminophenyl)ethyl]quinolin-2-one 1-[2-(4-aminophenyl)ethyl]quinol…

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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) 2.56 7.86 -11.55 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-(o-tolyl)ethyl]quinolin-2-one 1-[(2S)-2-amino-2-(o-tolyl)ethyl…

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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) 1.19 8.1 -44.22 3 3 1 50 279.363 3 ↓
Hi High (pH 8-9.5) 1.19 7.78 -10.09 2 3 0 48 278.355 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-(o-tolyl)ethyl]quinolin-2-one 1-[(2R)-2-amino-2-(o-tolyl)ethyl…

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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) 1.19 8.08 -35.66 3 3 1 50 279.363 3 ↓
Hi High (pH 8-9.5) 1.19 7.76 -9.32 2 3 0 48 278.355 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-(p-tolyl)ethyl]quinolin-2-one 1-[(2S)-2-amino-2-(p-tolyl)ethyl…

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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) 1.24 8.29 -44.74 3 3 1 50 279.363 3 ↓
Hi High (pH 8-9.5) 1.24 7.96 -10.97 2 3 0 48 278.355 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-(p-tolyl)ethyl]quinolin-2-one 1-[(2R)-2-amino-2-(p-tolyl)ethyl…

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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) 1.24 8.35 -35.91 3 3 1 50 279.363 3 ↓
Hi High (pH 8-9.5) 1.24 8 -9.18 2 3 0 48 278.355 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-(methylamino)-2-phenyl-ethyl]quinolin-2-one 1-[(2R)-2-(methylamino)-2-phenyl…

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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) 3.04 8.65 -42.33 2 3 1 39 279.363 4 ↓
Hi High (pH 8-9.5) 3.04 8.04 -9.62 1 3 0 34 278.355 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(methylamino)-2-phenyl-ethyl]quinolin-2-one 1-[(2S)-2-(methylamino)-2-phenyl…

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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) 3.04 9.49 -39.46 2 3 1 39 279.363 4 ↓
Hi High (pH 8-9.5) 3.04 8.45 -10.75 1 3 0 34 278.355 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]quinolin-2-one 1-[(2S)-2-amino-2-phenyl-ethyl]q…

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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 7.61 -44.66 3 3 1 50 265.336 3 ↓
Hi High (pH 8-9.5) 0.79 7.28 -10.97 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-ethyl]quinolin-2-one 1-[(2R)-2-amino-2-phenyl-ethyl]q…

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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 7.68 -35.83 3 3 1 50 265.336 3 ↓
Hi High (pH 8-9.5) 0.79 7.32 -9.14 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-hydroxy-2-phenyl-ethyl]quinolin-2-one 1-[(2S)-2-hydroxy-2-phenyl-ethyl…

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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) 2.49 7.1 -12.73 1 3 0 42 265.312 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-hydroxy-2-phenyl-ethyl]quinolin-2-one 1-[(2R)-2-hydroxy-2-phenyl-ethyl…

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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) 2.49 7.65 -10.68 1 3 0 42 265.312 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-hydroxy-2-(o-tolyl)ethyl]quinolin-2-one 1-[(2S)-2-hydroxy-2-(o-tolyl)eth…

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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) 2.89 7.61 -11.44 1 3 0 42 279.339 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-hydroxy-2-(o-tolyl)ethyl]quinolin-2-one 1-[(2R)-2-hydroxy-2-(o-tolyl)eth…

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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) 2.89 8.1 -11.09 1 3 0 42 279.339 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-hydroxy-2-(p-tolyl)ethyl]quinolin-2-one 1-[(2S)-2-hydroxy-2-(p-tolyl)eth…

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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) 2.94 7.78 -12.78 1 3 0 42 279.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-hydroxy-2-(p-tolyl)ethyl]quinolin-2-one 1-[(2R)-2-hydroxy-2-(p-tolyl)eth…

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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) 2.94 8.32 -10.71 1 3 0 42 279.339 3 ↓

Parameters Provided:

ring.id = 539246
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 = 539246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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