UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2R)-2-[[4-[4-[(4-chlorophenyl)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b (2R)-2-[[4-[4-[(4-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) 5.79 14.96 -90.42 2 8 2 88 484.984 7 ↓
Mid Mid (pH 6-8) 5.79 13.86 -57.81 1 8 1 87 483.976 7 ↓
Mid Mid (pH 6-8) 5.79 13.19 -20.96 0 8 0 85 482.968 7 ↓

Analogs

34086760
34086760
34086764
34086764
34086766
34086766
34086767
34086767
43100810
43100810

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Popular Name: (2R)-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]phenoxy]methyl]-2,3-dihydroim (2R)-6-nitro-2-[[4-[4-[[4-(trifl…

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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) 5.63 13.48 -92.15 2 9 2 97 520.508 9 ↓
Mid Mid (pH 6-8) 5.63 12.82 -42.1 1 9 1 96 519.5 9 ↓
Mid Mid (pH 6-8) 5.63 11.72 -21.8 0 9 0 95 518.492 9 ↓

Parameters Provided:

ring.id = 13822
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 = 13822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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