UCSF
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Analogs

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

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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) 0.45 6.74 -55.12 3 3 1 48 259.373 2 ↓

Analogs

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

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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) 0.45 6.77 -55.22 3 3 1 48 259.373 2 ↓

Analogs

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

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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) 2.70 8.43 -49.33 2 3 1 37 273.4 3 ↓

Analogs

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

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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) 2.70 8.44 -49.4 2 3 1 37 273.4 3 ↓

Analogs

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

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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) 3.08 9.25 -47.76 2 3 1 37 287.427 4 ↓

Analogs

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

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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) 3.08 9 -48.59 2 3 1 37 287.427 4 ↓

Analogs

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

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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) 2.15 6.52 -7.75 1 3 0 41 259.349 2 ↓

Analogs

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

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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) 2.15 6.45 -7.66 1 3 0 41 259.349 2 ↓

Analogs

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

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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) 3.52 9.62 -7.2 0 2 0 20 277.795 2 ↓

Analogs

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

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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) 3.52 9.56 -7.15 0 2 0 20 277.795 2 ↓

Analogs

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

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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) 3.65 9.69 -7.01 0 2 0 20 322.246 2 ↓

Analogs

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

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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) 3.65 9.64 -6.99 0 2 0 20 322.246 2 ↓

Parameters Provided:

ring.id = 38252
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 = 38252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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