UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2R)-2-(3-chloro-4-hydroxy-5-met…

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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) 2.52 2.52 -9.4 2 5 0 62 310.781 2 ↓

Analogs

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Popular Name: (2S)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(3-chloro-4-hydroxy-5-met…

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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) 2.52 2.61 -10 2 5 0 62 310.781 2 ↓

Analogs

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Popular Name: (2R)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2R)-2-(5-methoxy-2,3-dihydro-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) 1.84 3.88 -10.08 1 6 0 60 318.373 2 ↓
Lo Low (pH 4.5-6) 1.84 5.12 -49.02 2 6 1 65 319.381 2 ↓

Analogs

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Popular Name: (2S)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(5-methoxy-2,3-dihydro-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) 1.84 3.97 -13.32 1 6 0 60 318.373 2 ↓
Lo Low (pH 4.5-6) 1.84 5.13 -49.98 2 6 1 65 319.381 2 ↓

Analogs

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Popular Name: (2R)-2-(benzofuran-2-yl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2R)-2-(benzofuran-2-yl)-3-methy…

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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) 2.91 5.56 -10.16 1 4 0 45 270.332 1 ↓
Mid Mid (pH 6-8) 2.91 6.79 -49.62 2 4 1 50 271.34 1 ↓

Analogs

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Popular Name: (2S)-2-(benzofuran-2-yl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(benzofuran-2-yl)-3-methy…

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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) 2.91 5.42 -11.65 1 4 0 45 270.332 1 ↓
Mid Mid (pH 6-8) 2.91 6.65 -45.31 2 4 1 50 271.34 1 ↓

Analogs

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Popular Name: (2R)-2-(3-ethoxy-2-hydroxy-phenyl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2R)-2-(3-ethoxy-2-hydroxy-pheny…

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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) 2.27 3.05 -8.43 2 5 0 62 290.363 3 ↓
Lo Low (pH 4.5-6) 2.27 4.28 -40.38 3 5 1 66 291.371 3 ↓

Analogs

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Popular Name: (2S)-2-(3-ethoxy-2-hydroxy-phenyl)-3-methyl-1,3-diazaspiro[4.4]nonan-4-one (2S)-2-(3-ethoxy-2-hydroxy-pheny…

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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) 2.27 3.23 -9.8 2 5 0 62 290.363 3 ↓
Lo Low (pH 4.5-6) 2.27 4.26 -43.59 3 5 1 66 291.371 3 ↓

Parameters Provided:

ring.id = 402471
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 = 402471 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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