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

Analogs

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Popular Name: (2R)-2-[[4-[4-[(2-chlorophenyl)methoxymethyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidaz (2R)-2-[[4-[4-[(2-chlorophenyl)m…

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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) 5.51 14.6 -88.66 2 9 2 97 515.01 9 ↓
Mid Mid (pH 6-8) 5.51 13.5 -55.94 1 9 1 96 514.002 9 ↓
Mid Mid (pH 6-8) 5.51 12.85 -21.44 0 9 0 95 512.994 9 ↓

Analogs

34086760
34086760
34086761
34086761
34086764
34086764
34086765
34086765
34086766
34086766

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[4-[(3-chlorophenyl)methoxymethyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidaz (2R)-2-[[4-[4-[(3-chlorophenyl)m…

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) 5.54 14.46 -88.36 2 9 2 97 515.01 9 ↓
Mid Mid (pH 6-8) 5.54 12.7 -21.82 0 9 0 95 512.994 9 ↓
Mid Mid (pH 6-8) 5.54 13.8 -40.79 1 9 1 96 514.002 9 ↓

Parameters Provided:

ring.id = 13827
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 = 13827 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13827&filter.purchasability=annotated

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