UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-[(1S,3R)-3-methoxycyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,3R)-3-methoxycyclohexo…

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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) 0.36 5.59 -15.35 0 5 0 56 269.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S,3S)-3-methoxycyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,3S)-3-methoxycyclohexo…

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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) 0.36 5.7 -14.13 0 5 0 56 269.341 4 ↓

Analogs

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Popular Name: 1-[2-[(1R,3R)-3-methoxycyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,3R)-3-methoxycyclohexo…

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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) 0.36 5.74 -12.27 0 5 0 56 269.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,3S)-3-methoxycyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,3S)-3-methoxycyclohexo…

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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) 0.36 5.59 -15.36 0 5 0 56 269.341 4 ↓

Analogs

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Popular Name: 1-[2-[(1S,2R)-2-ethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,2R)-2-ethylcyclohexoxy…

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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) 1.87 7.98 -12.58 0 4 0 47 267.369 4 ↓

Analogs

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Popular Name: 1-[2-[(1S,2S)-2-ethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,2S)-2-ethylcyclohexoxy…

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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) 1.87 7.88 -12.58 0 4 0 47 267.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2R)-2-ethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,2R)-2-ethylcyclohexoxy…

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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) 1.87 7.88 -12.55 0 4 0 47 267.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2S)-2-ethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,2S)-2-ethylcyclohexoxy…

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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) 1.87 7.98 -12.53 0 4 0 47 267.369 4 ↓

Analogs

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Popular Name: 1-[2-[(1S,2R)-2-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,2R)-2-methylcyclohexox…

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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) 1.37 7.34 -12.61 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S,2S)-2-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,2S)-2-methylcyclohexox…

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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) 1.37 7.24 -12.57 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2R)-2-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,2R)-2-methylcyclohexox…

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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) 1.37 7.24 -12.55 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2S)-2-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,2S)-2-methylcyclohexox…

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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) 1.37 7.34 -12.63 0 4 0 47 253.342 3 ↓

Analogs

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Popular Name: 1-[2-(4-methylcyclohexoxy)acetyl]piperidin-4-one 1-[2-(4-methylcyclohexoxy)acetyl…

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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) 0.90 7.29 -12.87 0 4 0 47 253.342 3 ↓

Analogs

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Popular Name: 1-[2-(cyclohexoxy)acetyl]piperidin-4-one 1-[2-(cyclohexoxy)acetyl]piperid…

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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) 1.13 6.59 -12.79 0 4 0 47 239.315 3 ↓

Analogs

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Popular Name: 1-[2-[(1S,5S)-3,3,5-trimethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,5S)-3,3,5-trimethylcyc…

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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) 1.79 8.09 -12.64 0 4 0 47 281.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S,5R)-3,3,5-trimethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,5R)-3,3,5-trimethylcyc…

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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) 1.79 8.5 -11.72 0 4 0 47 281.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,5S)-3,3,5-trimethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,5S)-3,3,5-trimethylcyc…

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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) 1.79 8.03 -12.51 0 4 0 47 281.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,5R)-3,3,5-trimethylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,5R)-3,3,5-trimethylcyc…

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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) 1.79 8.09 -12.6 0 4 0 47 281.396 3 ↓

Analogs

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Popular Name: 1-[2-[(1S,3R)-3-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,3R)-3-methylcyclohexox…

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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) 1.13 7.2 -12.74 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S,3S)-3-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1S,3S)-3-methylcyclohexox…

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Activity (Go SEA)

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) 1.13 7.3 -12.89 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,3R)-3-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,3R)-3-methylcyclohexox…

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Activity (Go SEA)

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) 1.13 7.3 -12.83 0 4 0 47 253.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,3S)-3-methylcyclohexoxy]acetyl]piperidin-4-one 1-[2-[(1R,3S)-3-methylcyclohexox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.13 7.2 -12.73 0 4 0 47 253.342 3 ↓

Parameters Provided:

ring.id = 537910
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 = 537910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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