UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(1-propylimidazol-2-yl)cyclopentanone (2S)-2-(1-propylimidazol-2-yl)cy…

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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) 1.02 7.33 -30.1 1 3 1 36 193.27 3 ↓
Hi High (pH 8-9.5) 1.02 6.72 -9.54 0 3 0 35 192.262 3 ↓

Analogs

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Popular Name: (2R)-2-(1-propylimidazol-2-yl)cyclopentanone (2R)-2-(1-propylimidazol-2-yl)cy…

Find On: PubMed — Wikipedia — Google

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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) 1.02 7.32 -30.34 1 3 1 36 193.27 3 ↓
Hi High (pH 8-9.5) 1.02 6.72 -10 0 3 0 35 192.262 3 ↓

Analogs

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Popular Name: (2S)-2-(1-ethylimidazol-2-yl)cyclopentanone (2S)-2-(1-ethylimidazol-2-yl)cyc…

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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) 0.52 6.58 -29.94 1 3 1 36 179.243 2 ↓
Hi High (pH 8-9.5) 0.52 5.97 -9.97 0 3 0 35 178.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-ethylimidazol-2-yl)cyclopentanone (2R)-2-(1-ethylimidazol-2-yl)cyc…

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) 0.52 6.56 -30.25 1 3 1 36 179.243 2 ↓
Hi High (pH 8-9.5) 0.52 5.96 -10.34 0 3 0 35 178.235 2 ↓

Parameters Provided:

ring.id = 264275
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 = 264275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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