UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]piperidine (3R)-3-[5-(4-ethoxyphenyl)-1H-im…

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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) 1.94 6.89 -104.82 4 4 2 56 273.38 4 ↓
Mid Mid (pH 6-8) 1.94 6.47 -46.45 3 4 1 55 272.372 4 ↓

Analogs

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Popular Name: (3S)-3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]piperidine (3S)-3-[5-(4-ethoxyphenyl)-1H-im…

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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) 1.94 6.89 -104.83 4 4 2 56 273.38 4 ↓
Mid Mid (pH 6-8) 1.94 6.47 -46.44 3 4 1 55 272.372 4 ↓

Analogs

34929379
34929379

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-phenyl-1H-imidazol-2-yl)piperidine 3-(4-phenyl-1H-imidazol-2-yl)pip…

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) 1.51 6.26 -45.26 3 3 1 45 228.319 2 ↓
Mid Mid (pH 6-8) 1.51 6.67 -101.74 4 3 2 47 229.327 2 ↓

Analogs

34929379
34929379

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-phenyl-1H-imidazol-2-yl)piperidine 3-(4-phenyl-1H-imidazol-2-yl)pip…

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) 1.51 6.26 -45.24 3 3 1 45 228.319 2 ↓
Mid Mid (pH 6-8) 1.51 6.67 -101.73 4 3 2 47 229.327 2 ↓

Parameters Provided:

ring.id = 121164
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 = 121164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=121164&filter.purchasability=annotated

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