UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(1R)-1-amino-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-amino-2-cyclopropyl-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) -0.19 6.55 -55.01 3 3 1 48 245.346 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-amino-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-amino-2-cyclopropyl-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) -0.19 6.55 -54.9 3 3 1 48 245.346 3 ↓

Analogs

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Popular Name: 6-[(1S)-2-cyclopropyl-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-2-cyclopropyl-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) 1.16 8.24 -49.05 2 3 1 37 259.373 4 ↓

Analogs

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Popular Name: 6-[(1R)-2-cyclopropyl-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-2-cyclopropyl-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) 1.16 8.18 -48.25 2 3 1 37 259.373 4 ↓

Analogs

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

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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) 1.53 9.09 -47.44 2 3 1 37 273.4 5 ↓

Analogs

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

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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) 1.53 9.03 -46.82 2 3 1 37 273.4 5 ↓

Analogs

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

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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) 2.04 9.84 -48.35 2 3 1 37 287.427 6 ↓

Analogs

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

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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) 2.04 9.76 -47.63 2 3 1 37 287.427 6 ↓

Analogs

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Popular Name: 6-[(1R)-2-cyclopropyl-1-hydroxy-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-2-cyclopropyl-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) 1.51 6.07 -8.12 1 3 0 41 245.322 3 ↓

Analogs

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Popular Name: 6-[(1S)-2-cyclopropyl-1-hydroxy-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-2-cyclopropyl-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) 1.51 6.09 -8.15 1 3 0 41 245.322 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-chloro-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-chloro-2-cyclopropyl-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) 2.88 9.6 -7.31 0 2 0 20 263.768 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-chloro-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-chloro-2-cyclopropyl-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) 2.88 9.58 -7.25 0 2 0 20 263.768 3 ↓

Analogs

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Popular Name: 6-[(1R)-1-bromo-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1R)-1-bromo-2-cyclopropyl-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) 3.01 9.7 -7.1 0 2 0 20 308.219 3 ↓

Analogs

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Popular Name: 6-[(1S)-1-bromo-2-cyclopropyl-ethyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(1S)-1-bromo-2-cyclopropyl-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) 3.01 9.67 -7.11 0 2 0 20 308.219 3 ↓

Parameters Provided:

ring.id = 275881
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 = 275881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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