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

Analogs

34086760
34086760
34086764
34086764
34086766
34086766
34086767
34086767
43100810
43100810

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Popular Name: (2R)-2-[[4-[4-[(4-fluorophenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1- (2R)-2-[[4-[4-[(4-fluorophenoxy)…

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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) 5.15 12.88 -41.46 1 9 1 96 483.52 8 ↓
Mid Mid (pH 6-8) 5.15 13.54 -91.74 2 9 2 97 484.528 8 ↓
Mid Mid (pH 6-8) 5.15 11.78 -22.1 0 9 0 95 482.512 8 ↓

Analogs

34086760
34086760

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Popular Name: (2R)-2-[[4-[4-[(2-fluoro-5-methyl-phenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-im (2R)-2-[[4-[4-[(2-fluoro-5-methy…

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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) 5.53 13.65 -42.71 1 9 1 96 497.547 8 ↓
Mid Mid (pH 6-8) 5.53 14.31 -91.16 2 9 2 97 498.555 8 ↓
Mid Mid (pH 6-8) 5.53 12.56 -23.62 0 9 0 95 496.539 8 ↓

Analogs

34086760
34086760
34086765
34086765
28604512
28604512

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[4-[(2-chloro-4-methoxy-phenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-i (2R)-2-[[4-[4-[(2-chloro-4-metho…

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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) 5.65 12.66 -42.18 1 10 1 105 530.001 9 ↓
Mid Mid (pH 6-8) 5.65 11.56 -23.1 0 10 0 104 528.993 9 ↓
Mid Mid (pH 6-8) 5.65 13.32 -91.4 2 10 2 106 531.009 9 ↓

Parameters Provided:

ring.id = 13828
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 = 13828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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