UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-(3-fluoro-4-hydroxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(3-fluoro-4-hydroxy-phenyl)-8-…

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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) 1.10 5.03 -13.02 1 4 0 58 277.295 1 ↓
Hi High (pH 8-9.5) 1.10 5.78 -55.78 0 4 -1 60 276.287 1 ↓

Analogs

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Popular Name: 8-[4-(hydroxymethyl)phenyl]-8-azaspiro[4.5]decane-7,9-dione 8-[4-(hydroxymethyl)phenyl]-8-az…

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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) 0.57 5.14 -13.79 1 4 0 58 273.332 2 ↓

Analogs

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Popular Name: 8-(3-hydroxy-2-methyl-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(3-hydroxy-2-methyl-phenyl)-8-…

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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) 1.57 6.07 -12.68 1 4 0 58 273.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(3-hydroxy-4-methyl-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(3-hydroxy-4-methyl-phenyl)-8-…

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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) 1.59 5.72 -13.23 1 4 0 58 273.332 1 ↓

Analogs

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Popular Name: 8-(2-fluoro-4-hydroxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(2-fluoro-4-hydroxy-phenyl)-8-…

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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) 0.84 5.1 -12.91 1 4 0 58 277.295 1 ↓

Analogs

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Popular Name: 8-(4-chloro-3-hydroxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(4-chloro-3-hydroxy-phenyl)-8-…

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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) 1.62 5.52 -11.85 1 4 0 58 293.75 1 ↓
Hi High (pH 8-9.5) 1.62 6.28 -56.1 0 4 -1 60 292.742 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(3-chloro-4-hydroxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(3-chloro-4-hydroxy-phenyl)-8-…

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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) 1.62 5.51 -12.17 1 4 0 58 293.75 1 ↓
Hi High (pH 8-9.5) 1.62 6.28 -51.7 0 4 -1 60 292.742 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-chloro-4-hydroxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(2-chloro-4-hydroxy-phenyl)-8-…

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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) 1.36 5.79 -11.74 1 4 0 58 293.75 1 ↓

Analogs

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Popular Name: 8-[2-(hydroxymethyl)phenyl]-8-azaspiro[4.5]decane-7,9-dione 8-[2-(hydroxymethyl)phenyl]-8-az…

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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) 0.52 5.64 -13.29 1 4 0 58 273.332 2 ↓

Analogs

6522940
6522940

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Popular Name: 8-(3-ethynylphenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(3-ethynylphenyl)-8-azaspiro[4…

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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) 0.97 9 -13.04 0 3 0 37 267.328 1 ↓

Analogs

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Popular Name: 8-[2-[(1S)-1-hydroxyethyl]phenyl]-8-azaspiro[4.5]decane-7,9-dione 8-[2-[(1S)-1-hydroxyethyl]phenyl…

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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) 0.74 6.31 -12.46 1 4 0 58 287.359 2 ↓

Analogs

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Popular Name: 8-[2-[(1R)-1-hydroxyethyl]phenyl]-8-azaspiro[4.5]decane-7,9-dione 8-[2-[(1R)-1-hydroxyethyl]phenyl…

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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) 0.74 6.3 -12.34 1 4 0 58 287.359 2 ↓

Analogs

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Popular Name: 8-(5-bromo-2-methoxy-phenyl)-8-azaspiro[4.5]decane-7,9-dione 8-(5-bromo-2-methoxy-phenyl)-8-a…

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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) 2.02 7.9 -12.67 0 4 0 47 352.228 2 ↓

Parameters Provided:

ring.id = 537647
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 = 537647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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