UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(1R)-1-amino-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-amino-2-cyclopentyl-et…

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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) 0.72 7.6 -56.37 3 3 1 48 273.4 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-amino-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-amino-2-cyclopentyl-et…

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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) 0.72 7.58 -55.99 3 3 1 48 273.4 3 ↓

Analogs

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Popular Name: 6-[(1S)-2-cyclopentyl-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-2-cyclopentyl-1-(methyla…

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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) 2.07 9.28 -50.19 2 3 1 37 287.427 4 ↓

Analogs

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Popular Name: 6-[(1R)-2-cyclopentyl-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-2-cyclopentyl-1-(methyla…

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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) 2.07 9.04 -51.25 2 3 1 37 287.427 4 ↓

Analogs

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Popular Name: 6-[(1R)-2-cyclopentyl-1-hydroxy-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-2-cyclopentyl-1-hydroxy-…

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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) 2.42 7.12 -8.05 1 3 0 41 273.376 3 ↓

Analogs

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Popular Name: 6-[(1S)-2-cyclopentyl-1-hydroxy-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-2-cyclopentyl-1-hydroxy-…

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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) 2.42 7.12 -8.09 1 3 0 41 273.376 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-chloro-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-chloro-2-cyclopentyl-e…

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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) 3.79 10.47 -7.09 0 2 0 20 291.822 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-chloro-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-chloro-2-cyclopentyl-e…

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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) 3.79 10.62 -7.18 0 2 0 20 291.822 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-bromo-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-bromo-2-cyclopentyl-et…

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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) 3.92 10.53 -6.96 0 2 0 20 336.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S)-1-bromo-2-cyclopentyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-bromo-2-cyclopentyl-et…

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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) 3.92 10.7 -7.02 0 2 0 20 336.273 3 ↓

Parameters Provided:

ring.id = 275886
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 = 275886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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