UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-methoxyphenyl)-N-[2-[(2S)-2-piperidyl]ethyl]acetamide 2-(3-methoxyphenyl)-N-[2-[(2S)-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) 2.21 5.37 -46.68 3 4 1 55 277.388 6 ↓

Analogs

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Popular Name: 2-(3-methoxyphenyl)-N-[2-[(2R)-2-piperidyl]ethyl]acetamide 2-(3-methoxyphenyl)-N-[2-[(2R)-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) 2.21 5.37 -46.72 3 4 1 55 277.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-N-[2-[(2S)-2-piperidyl]ethyl]acetamide 2-(2-methoxyphenyl)-N-[2-[(2S)-2…

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) 2.18 5.45 -42.85 3 4 1 55 277.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-N-[2-[(2R)-2-piperidyl]ethyl]acetamide 2-(2-methoxyphenyl)-N-[2-[(2R)-2…

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) 2.18 5.45 -42.43 3 4 1 55 277.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-N-methyl-N-[2-[(2S)-2-piperidyl]ethyl]acetamide 2-(2-methoxyphenyl)-N-methyl-N-[…

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) 2.43 7.57 -45.07 2 4 1 46 291.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-2-piperidyl]ethyl]acetamide 2-(2-methoxyphenyl)-N-methyl-N-[…

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) 2.43 7.58 -37.58 2 4 1 46 291.415 6 ↓

Analogs

53137873
53137873
53137877
53137877

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Popular Name: N-[2-[(2S)-2-piperidyl]ethyl]-2-(p-tolyl)acetamide N-[2-[(2S)-2-piperidyl]ethyl]-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) 2.62 6.77 -42.58 3 3 1 46 261.389 5 ↓

Analogs

53137873
53137873
53137877
53137877

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-2-piperidyl]ethyl]-2-(p-tolyl)acetamide N-[2-[(2R)-2-piperidyl]ethyl]-2-…

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) 2.62 6.77 -42.57 3 3 1 46 261.389 5 ↓

Analogs

53137880
53137880
53137884
53137884

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[2-[(2S)-2-piperidyl]ethyl]-2-(p-tolyl)acetamide N-methyl-N-[2-[(2S)-2-piperidyl]…

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) 2.87 8.9 -37.22 2 3 1 37 275.416 5 ↓

Analogs

53137880
53137880
53137884
53137884

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[2-[(2R)-2-piperidyl]ethyl]-2-(p-tolyl)acetamide N-methyl-N-[2-[(2R)-2-piperidyl]…

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) 2.87 8.89 -44.78 2 3 1 37 275.416 5 ↓

Parameters Provided:

ring.id = 47717
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 = 47717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=47717&filter.purchasability=annotated

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