UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (2-amino-4-fluoro-phenyl)-(3-aza…

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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) 2.87 7 -5.84 2 3 0 46 290.382 1 ↓

Analogs

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Popular Name: N-[5-(3-azaspiro[5.5]undecane-3-carbonyl)-2-fluoro-phenyl]acetamide N-[5-(3-azaspiro[5.5]undecane-3-…

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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) 2.61 7.88 -14.67 1 4 0 49 332.419 2 ↓

Analogs

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Popular Name: 3-azaspiro[5.5]undecan-3-yl-(3-methylsulfonylphenyl)methanone 3-azaspiro[5.5]undecan-3-yl-(3-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) 2.14 6.43 -17.87 0 4 0 54 335.469 2 ↓

Analogs

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Popular Name: 3-azaspiro[5.5]undecan-3-yl-(4-methylsulfonylphenyl)methanone 3-azaspiro[5.5]undecan-3-yl-(4-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) 2.17 6.44 -14.21 0 4 0 54 335.469 2 ↓

Analogs

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Popular Name: 3-azaspiro[5.5]undecan-3-yl-(2-chloro-5-ethylsulfonyl-phenyl)methanone 3-azaspiro[5.5]undecan-3-yl-(2-c…

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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) 3.15 7.84 -12.4 0 4 0 54 383.941 3 ↓

Parameters Provided:

ring.id = 282146
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 = 282146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=282146&filter.purchasability=annotated

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