UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

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Popular Name: 2-[(3S,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)acetamide 2-[(3S,4R)-2-oxo-3-phenoxy-4-phe…

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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) 4.42 12.04 -43.42 2 6 1 63 450.603 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)acetamide 2-[(3S,4S)-2-oxo-3-phenoxy-4-phe…

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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) 4.42 11.57 -44.66 2 6 1 63 450.603 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212307
17212307

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,4R)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)acetamide 2-[(3R,4R)-2-oxo-3-phenoxy-4-phe…

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) 4.42 11.97 -44.07 2 6 1 63 450.603 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,4S)-2-oxo-3-phenoxy-4-phenyl-azetidin-1-yl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)acetamide 2-[(3R,4S)-2-oxo-3-phenoxy-4-phe…

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) 4.42 11.66 -44.05 2 6 1 63 450.603 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.25 10.38 -18.29 1 8 0 88 451.523 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.25 9.94 -19.59 1 8 0 88 451.523 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.25 10.33 -20.46 1 8 0 88 451.523 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.25 9.98 -19.15 1 8 0 88 451.523 8 ↓

Parameters Provided:

ring.id = 604041
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 = 604041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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