UCSF
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Popular Name: 6-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one 6-(5-bromothiophene-2-carbonyl)-…

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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) 3.89 6.64 -8.66 1 3 0 46 336.21 2 ↓

Analogs

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Popular Name: 6-(3-methylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one 6-(3-methylthiophene-2-carbonyl)…

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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) 3.33 6.51 -9.88 1 3 0 46 271.341 2 ↓

Analogs

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Popular Name: 6-(5-methylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one 6-(5-methylthiophene-2-carbonyl)…

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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) 3.18 6.74 -10.25 1 3 0 46 271.341 2 ↓

Analogs

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Popular Name: 6-(thiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one 6-(thiophene-2-carbonyl)-3,4-dih…

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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) 2.96 5.85 -10.26 1 3 0 46 257.314 2 ↓

Analogs

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Popular Name: 6-(5-chlorothiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one 6-(5-chlorothiophene-2-carbonyl)…

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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) 3.76 6.54 -8.71 1 3 0 46 291.759 2 ↓

Analogs

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Popular Name: 6-(5-chlorothiophene-2-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-(5-chlorothiophene-2-carbonyl)…

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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) 3.85 6.55 -11.18 1 3 0 46 309.749 2 ↓

Analogs

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Popular Name: 1-methyl-6-(thiophene-2-carbonyl)-3,4-dihydroquinolin-2-one 1-methyl-6-(thiophene-2-carbonyl…

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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) 2.53 7.55 -10.39 0 3 0 37 271.341 2 ↓

Analogs

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Popular Name: 1-methyl-6-(5-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one 1-methyl-6-(5-methylthiophene-2-…

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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) 2.75 8.43 -10.67 0 3 0 37 285.368 2 ↓

Analogs

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Popular Name: 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one 1-methyl-6-(3-methylthiophene-2-…

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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) 2.91 8.21 -10.14 0 3 0 37 285.368 2 ↓

Analogs

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Popular Name: 6-(5-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one 6-(5-bromothiophene-2-carbonyl)-…

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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) 3.46 8.36 -8.79 0 3 0 37 350.237 2 ↓

Analogs

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Popular Name: 6-(5-chlorothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one 6-(5-chlorothiophene-2-carbonyl)…

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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) 3.33 8.18 -8.73 0 3 0 37 305.786 2 ↓

Analogs

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Popular Name: 6-(5-ethylthiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one 6-(5-ethylthiophene-2-carbonyl)-…

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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) 3.33 9.21 -10.27 0 3 0 37 299.395 3 ↓

Parameters Provided:

ring.id = 16243
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 = 16243 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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