UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(quinoline-5-carbonyl)piperidine-4-carboxylic 1-(quinoline-5-carbonyl)piperidi…

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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) 1.18 7.32 -52.57 0 5 -1 73 283.307 2 ↓

Analogs

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Popular Name: (4-amino-1-piperidyl)-(5-quinolyl)methanone (4-amino-1-piperidyl)-(5-quinoly…

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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) 0.43 4.01 -55.42 3 4 1 61 256.329 1 ↓

Analogs

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Popular Name: [4-(methylamino)-1-piperidyl]-(5-quinolyl)methanone [4-(methylamino)-1-piperidyl]-(5…

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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) 1.34 5.74 -50.12 2 4 1 50 270.356 2 ↓

Analogs

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Popular Name: [4-(ethylamino)-1-piperidyl]-(5-quinolyl)methanone [4-(ethylamino)-1-piperidyl]-(5-…

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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) 1.72 6.53 -49.25 2 4 1 50 284.383 3 ↓

Analogs

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Popular Name: [(3S)-3-(methylaminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(3S)-3-(methylaminomethyl)-1-pi…

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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) 1.72 6.65 -45.16 2 4 1 50 284.383 3 ↓

Analogs

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Popular Name: [(3R)-3-(methylaminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(3R)-3-(methylaminomethyl)-1-pi…

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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) 1.72 6.61 -45.31 2 4 1 50 284.383 3 ↓

Analogs

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Popular Name: [(3S)-3-amino-1-piperidyl]-(5-quinolyl)methanone [(3S)-3-amino-1-piperidyl]-(5-qu…

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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) 0.43 4.02 -52.06 3 4 1 61 256.329 1 ↓
Hi High (pH 8-9.5) 0.43 3.71 -10.81 2 4 0 59 255.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-amino-1-piperidyl]-(5-quinolyl)methanone [(3R)-3-amino-1-piperidyl]-(5-qu…

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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) 0.43 3.99 -52.06 3 4 1 61 256.329 1 ↓
Hi High (pH 8-9.5) 0.43 3.67 -10.57 2 4 0 59 255.321 1 ↓

Analogs

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Popular Name: [4-(aminomethyl)-1-piperidyl]-(5-quinolyl)methanone [4-(aminomethyl)-1-piperidyl]-(5…

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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) 0.74 4.76 -56.03 3 4 1 61 270.356 2 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(3R)-3-(aminomethyl)-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) 0.74 4.77 -50.05 3 4 1 61 270.356 2 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(3S)-3-(aminomethyl)-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) 0.74 4.74 -50.22 3 4 1 61 270.356 2 ↓

Analogs

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Popular Name: [(2R)-2-(aminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(2R)-2-(aminomethyl)-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) 0.86 4.68 -46.72 3 4 1 61 270.356 2 ↓

Analogs

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Popular Name: [(2S)-2-(aminomethyl)-1-piperidyl]-(5-quinolyl)methanone [(2S)-2-(aminomethyl)-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) 0.86 4.72 -46.43 3 4 1 61 270.356 2 ↓

Analogs

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Popular Name: [(3R)-3-(methylamino)-1-piperidyl]-(5-quinolyl)methanone [(3R)-3-(methylamino)-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) 1.34 5.71 -47.02 2 4 1 50 270.356 2 ↓
Hi High (pH 8-9.5) 1.34 4.47 -10.74 1 4 0 45 269.348 2 ↓

Analogs

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Popular Name: [(3S)-3-(methylamino)-1-piperidyl]-(5-quinolyl)methanone [(3S)-3-(methylamino)-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) 1.34 5.67 -47.06 2 4 1 50 270.356 2 ↓
Hi High (pH 8-9.5) 1.34 4.43 -11.14 1 4 0 45 269.348 2 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(5-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) 1.20 5.36 -54.26 3 4 1 61 284.383 3 ↓

Parameters Provided:

ring.id = 126909
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 = 126909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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