UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]piperidin-2-imine 1-[2-fluoro-5-(trifluoromethyl)p…

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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) 3.61 7.68 -29.89 2 2 1 29 261.242 2 ↓
Hi High (pH 8-9.5) 3.61 7.72 -4.94 1 2 0 27 260.234 2 ↓

Analogs

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Popular Name: N,N-diethyl-4-(2-imino-1-piperidyl)aniline N,N-diethyl-4-(2-imino-1-piperid…

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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) 3.48 8.65 -20.75 3 3 0 33 247.386 4 ↓
Mid Mid (pH 6-8) 3.48 8.53 -28.16 2 3 1 32 246.378 4 ↓

Parameters Provided:

ring.id = 265578
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 = 265578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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