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

Analogs

36192165
36192165
36192167
36192167

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1-piperidyl)-1-piperidyl]-[(2S)-pyrrolidin-2-yl]methanone [4-(1-piperidyl)-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) 1.17 6.67 -88.29 3 4 2 41 267.417 2 ↓

Analogs

36192165
36192165
36192167
36192167

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1-piperidyl)-1-piperidyl]-[(2R)-pyrrolidin-2-yl]methanone [4-(1-piperidyl)-1-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) 1.17 6.74 -89.61 3 4 2 41 267.417 2 ↓

Analogs

36192258
36192258
36192260
36192260
36192262
36192262
36192264
36192264

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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) 0.25 3.29 -91.86 4 5 2 62 283.416 2 ↓

Analogs

36192258
36192258
36192260
36192260
36192262
36192262
36192264
36192264

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…

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) 0.25 3.33 -88.9 4 5 2 62 283.416 2 ↓

Analogs

36192258
36192258
36192260
36192260
36192262
36192262
36192264
36192264

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone [(2S,4R)-4-hydroxypyrrolidin-2-y…

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) 0.25 3.4 -88.81 4 5 2 62 283.416 2 ↓

Analogs

36192258
36192258
36192260
36192260
36192262
36192262
36192264
36192264

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone [(2R,4R)-4-hydroxypyrrolidin-2-y…

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) 0.25 3.36 -91.6 4 5 2 62 283.416 2 ↓

Parameters Provided:

ring.id = 580217
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 = 580217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=580217&filter.purchasability=annotated

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