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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: 6-[(1S)-1-amino-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1S)-1-amino-2-(3-chloropheny…

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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) 1.55 6.77 -58.23 4 3 1 57 301.797 3 ↓
Hi High (pH 8-9.5) 1.55 6.47 -8.35 3 3 0 55 300.789 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1R)-1-amino-2-(3-chloropheny…

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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) 1.55 6.77 -55.51 4 3 1 57 301.797 3 ↓
Hi High (pH 8-9.5) 1.55 6.43 -8.32 3 3 0 55 300.789 3 ↓

Analogs

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Popular Name: 6-[(1S)-2-(3-chlorophenyl)-1-hydroxy-ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1S)-2-(3-chlorophenyl)-1-hyd…

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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) 3.25 6.31 -10.14 2 3 0 49 301.773 3 ↓

Analogs

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Popular Name: 6-[(1R)-2-(3-chlorophenyl)-1-hydroxy-ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1R)-2-(3-chlorophenyl)-1-hyd…

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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) 3.25 6.28 -10.22 2 3 0 49 301.773 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-chloro-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1S)-1-chloro-2-(3-chlorophen…

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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) 4.62 9.76 -8.42 1 2 0 29 320.219 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-chloro-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1R)-1-chloro-2-(3-chlorophen…

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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) 4.62 9.76 -9.55 1 2 0 29 320.219 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-bromo-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1S)-1-bromo-2-(3-chloropheny…

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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) 4.75 9.82 -8.25 1 2 0 29 364.67 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-bromo-2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one 6-[(1R)-1-bromo-2-(3-chloropheny…

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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) 4.75 9.82 -9.33 1 2 0 29 364.67 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-chloro-2-phenyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-chloro-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) 3.54 10.98 -8.58 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-chloro-2-phenyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-chloro-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) 3.54 10.98 -8.66 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-bromo-2-phenyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-bromo-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) 3.67 11.04 -8.22 0 2 0 20 344.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S)-1-bromo-2-phenyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-bromo-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) 3.67 11.04 -8.38 0 2 0 20 344.252 3 ↓

Parameters Provided:

ring.id = 37702
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 = 37702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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