UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2R)-1-(quinoline-2-carbonyl)-2-piperidyl]acetamide 2-[(2R)-1-(quinoline-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) 2.57 5.81 -13.08 2 5 0 76 297.358 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(quinoline-2-carbonyl)-2-piperidyl]acetamide 2-[(2S)-1-(quinoline-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) 2.57 5.88 -12.64 2 5 0 76 297.358 3 ↓

Analogs

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Popular Name: N-[[(3S)-1-(quinoline-2-carbonyl)-3-piperidyl]methyl]butanamide N-[[(3S)-1-(quinoline-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) 2.77 8.24 -11.86 1 5 0 62 339.439 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-(quinoline-2-carbonyl)-3-piperidyl]methyl]butanamide N-[[(3R)-1-(quinoline-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) 2.77 8.21 -12.14 1 5 0 62 339.439 5 ↓

Analogs

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Popular Name: 5-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid 5-(4-chlorophenyl)-7-methylpyraz…

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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) -1.38 5.66 -67.92 1 6 -1 94 299.306 2 ↓

Analogs

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Popular Name: (3S,6R)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (3S,6R)-6-methyl-1-(quinoline-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) 1.29 4.85 -11.39 2 5 0 76 297.358 2 ↓

Analogs

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Popular Name: (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (3S,6S)-6-methyl-1-(quinoline-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) 1.29 4.89 -10.55 2 5 0 76 297.358 2 ↓

Analogs

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Popular Name: (3R,6R)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (3R,6R)-6-methyl-1-(quinoline-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) 1.29 4.89 -10.61 2 5 0 76 297.358 2 ↓

Analogs

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Popular Name: (3R,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (3R,6S)-6-methyl-1-(quinoline-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) 1.29 5.87 -13.25 2 5 0 76 297.358 2 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(2-quinolyl)methanone [4-(2-aminoethyl)-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) 1.48 6.25 -51.56 3 4 1 61 284.383 3 ↓

Parameters Provided:

ring.id = 264713
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 = 264713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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