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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12016004
12016004
12016009
12016009
12016022
12016022

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-(1-piperidyl)methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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) 1.81 0.29 -9.9 0 4 0 38 261.369 2 ↓

Analogs

12016025
12016025

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Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(2R)-2-methyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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) 2.14 0.42 -9.22 0 4 0 38 275.396 2 ↓

Analogs

12016024
12016024

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Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(2S)-2-methyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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) 2.14 0.46 -9.09 0 4 0 38 275.396 2 ↓

Analogs

12016027
12016027
12016043
12016043
12016046
12016046
13809467
13809467

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Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(3R)-3-methyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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 0.6 -10.16 0 4 0 38 275.396 2 ↓

Analogs

12016043
12016043
12016046
12016046
13809467
13809467
12016026
12016026

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(3S)-3-methyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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 0.55 -10.12 0 4 0 38 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-(4-methyl-1-piperidyl)methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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 0.65 -9.8 0 4 0 38 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-(4-hydroxy-1-piperidyl)methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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) -0.07 -2.44 -12.4 1 5 0 58 277.368 2 ↓

Analogs

12016046
12016046
13809467
13809467
12016026
12016026
12016027
12016027

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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 1.33 -9.6 0 4 0 38 289.423 2 ↓

Analogs

13809467
13809467
12016026
12016026
12016027
12016027
12016043
12016043

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopentyl-3-methyl-pyrazol-4-yl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone (1-cyclopentyl-3-methyl-pyrazol-…

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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 1.34 -9.76 0 4 0 38 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 2.67 9.27 -13.17 0 6 0 64 387.402 5 ↓

Parameters Provided:

ring.id = 74528
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 = 74528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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