UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]cyclohexanamine N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 2.92 7.91 -112.33 3 2 2 21 224.392 4 ↓
Hi High (pH 8-9.5) 2.92 6.75 -30.7 2 2 1 16 223.384 4 ↓
Mid Mid (pH 6-8) 2.92 5.7 -36.37 2 2 1 20 223.384 4 ↓

Analogs

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Popular Name: N-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(1S,4R)-5-azabicyclo[2.2.1…

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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) 2.70 8.52 -113.43 3 2 2 21 238.419 4 ↓
Hi High (pH 8-9.5) 2.70 7.35 -30.74 2 2 1 16 237.411 4 ↓
Mid Mid (pH 6-8) 2.70 6.31 -36.97 2 2 1 20 237.411 4 ↓

Parameters Provided:

ring.id = 46996
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 = 46996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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