UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.54 3.93 -10.1 1 5 0 54 283.331 3 ↓

Analogs

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

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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) 1.54 4.13 -10.34 1 5 0 54 283.331 3 ↓

Analogs

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Popular Name: (4R)-1-methyl-4-(3-pyridylamino)-3,4-dihydroquinolin-2-one (4R)-1-methyl-4-(3-pyridylamino)…

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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) 1.14 5.48 -9.33 1 4 0 45 253.305 2 ↓
Lo Low (pH 4.5-6) 1.14 5.96 -36.38 2 4 1 46 254.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-4-(3-pyridylamino)-3,4-dihydroquinolin-2-one (4S)-1-methyl-4-(3-pyridylamino)…

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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) 1.14 5.67 -9.6 1 4 0 45 253.305 2 ↓
Lo Low (pH 4.5-6) 1.14 6.18 -38.31 2 4 1 46 254.313 2 ↓

Analogs

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Popular Name: (4R)-4-[(2-chloro-3-pyridyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[(2-chloro-3-pyridyl)amin…

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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) 1.95 6 -12.19 1 4 0 45 287.75 2 ↓

Analogs

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Popular Name: (4S)-4-[(2-chloro-3-pyridyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[(2-chloro-3-pyridyl)amin…

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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) 1.95 6.21 -8.76 1 4 0 45 287.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(2-methoxy-3-pyridyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[(2-methoxy-3-pyridyl)ami…

Find On: PubMed — Wikipedia — Google

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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) 1.32 4.11 -11.48 1 5 0 54 283.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[(2-methoxy-3-pyridyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[(2-methoxy-3-pyridyl)ami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.32 4.32 -8.53 1 5 0 54 283.331 3 ↓

Parameters Provided:

ring.id = 544860
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 = 544860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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