UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-oxo-6-(1-piperidyl)-1H-quinoline-3-carboxylic 4-oxo-6-(1-piperidyl)-1H-quinoli…

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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) 1.19 8.18 -71.61 1 5 -1 76 271.296 2 ↓
Lo Low (pH 4.5-6) 2.49 6.31 -40.22 2 5 0 78 272.304 2 ↓

Analogs

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Popular Name: 6-(1-piperidyl)-1H-quinolin-4-one 6-(1-piperidyl)-1H-quinolin-4-one

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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) 1.64 6.7 -16.86 1 3 0 36 228.295 1 ↓

Analogs

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Popular Name: 2-methyl-6-(1-piperidyl)-1H-quinolin-4-one 2-methyl-6-(1-piperidyl)-1H-quin…

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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) 2.08 7.28 -15.92 1 3 0 36 242.322 1 ↓

Analogs

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Popular Name: 2-isopropyl-6-(1-piperidyl)-1H-quinolin-4-one 2-isopropyl-6-(1-piperidyl)-1H-q…

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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) 3.14 8.68 -14.29 1 3 0 36 270.376 2 ↓

Analogs

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Popular Name: 2-tert-butyl-6-(1-piperidyl)-1H-quinolin-4-one 2-tert-butyl-6-(1-piperidyl)-1H-…

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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) 3.80 9.09 -14.25 1 3 0 36 284.403 2 ↓

Analogs

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Popular Name: 2-ethyl-6-(1-piperidyl)-1H-quinolin-4-one 2-ethyl-6-(1-piperidyl)-1H-quino…

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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) 2.65 8.01 -15.12 1 3 0 36 256.349 2 ↓

Analogs

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Popular Name: 2-(methoxymethyl)-6-(1-piperidyl)-1H-quinolin-4-one 2-(methoxymethyl)-6-(1-piperidyl…

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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) 2.05 6.54 -17.88 1 4 0 45 272.348 3 ↓

Analogs

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Popular Name: 2-(difluoromethyl)-6-(1-piperidyl)-1H-quinolin-4-one 2-(difluoromethyl)-6-(1-piperidy…

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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) 2.64 7.48 -15.57 1 3 0 36 278.302 2 ↓
Hi High (pH 8-9.5) 3.94 6.15 -47.61 0 3 -1 39 277.294 2 ↓

Analogs

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Popular Name: 3-isopropyl-2-methyl-6-(1-piperidyl)-1H-quinolin-4-one 3-isopropyl-2-methyl-6-(1-piperi…

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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) 3.05 9.23 -14.44 1 3 0 36 284.403 2 ↓

Analogs

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Popular Name: 2,3-dimethyl-6-(1-piperidyl)-1H-quinolin-4-one 2,3-dimethyl-6-(1-piperidyl)-1H-…

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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) 2.46 7.87 -15.71 1 3 0 36 256.349 1 ↓

Analogs

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Popular Name: 3-ethyl-2-methyl-6-(1-piperidyl)-1H-quinolin-4-one 3-ethyl-2-methyl-6-(1-piperidyl)…

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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) 2.92 8.57 -15.92 1 3 0 36 270.376 2 ↓

Parameters Provided:

ring.id = 135570
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 = 135570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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