UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-oxo-2-phenacylsulfanyl-7,8-dihydro-6H-quinoline-3-carbonitrile 5-oxo-2-phenacylsulfanyl-7,8-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) 2.98 9.53 -15.91 0 4 0 71 322.389 4 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.43 8.28 -12.79 0 5 0 80 304.371 5 ↓

Analogs

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Popular Name: 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide 2-[(3-cyano-4-ethyl-7,7-dimethyl…

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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) 4.40 1.15 -15.43 1 6 0 92 423.538 6 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetamide N-(3-acetylphenyl)-2-[(3-cyano-4…

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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) 4.24 1.53 -24.5 1 6 0 99 435.549 6 ↓

Analogs

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Popular Name: 6,6-bis(hydroxymethyl)-2-(2-thienyl)-7,8-dihydroquinolin-5-one 6,6-bis(hydroxymethyl)-2-(2-thie…

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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) 1.42 3.71 -12.98 2 4 0 70 289.356 3 ↓

Analogs

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Popular Name: 2-(2-thienyl)-7,8-dihydro-6H-quinolin-5-one 2-(2-thienyl)-7,8-dihydro-6H-qui…

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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 6.97 -7.54 0 2 0 30 229.304 1 ↓

Analogs

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Popular Name: 2-(5-chloro-2-thienyl)-7,8-dihydro-6H-quinolin-5-one 2-(5-chloro-2-thienyl)-7,8-dihyd…

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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) 3.69 7.62 -6.3 0 2 0 30 263.749 1 ↓

Analogs

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Popular Name: 2-(5-bromo-2-thienyl)-7,8-dihydro-6H-quinolin-5-one 2-(5-bromo-2-thienyl)-7,8-dihydr…

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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) 3.82 7.72 -6.29 0 2 0 30 308.2 1 ↓

Analogs

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Popular Name: 7,7-dimethyl-2-(p-tolyl)-6,8-dihydroquinolin-5-one 7,7-dimethyl-2-(p-tolyl)-6,8-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) 4.44 9.52 -7.4 0 2 0 30 265.356 1 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one 2-(4-methoxyphenyl)-7,7-dimethyl…

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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) 4.04 8.14 -8.35 0 3 0 39 281.355 2 ↓

Analogs

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Popular Name: 7,7-dimethyl-2-(2-thienyl)-6,8-dihydroquinolin-5-one 7,7-dimethyl-2-(2-thienyl)-6,8-d…

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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) 3.77 7.83 -6.96 0 2 0 30 257.358 1 ↓

Parameters Provided:

ring.id = 81467
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 = 81467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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