UCSF
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Analogs

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Popular Name: 9-(5-isobutyl2H-pyrazole-3-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one 9-(5-isobutyl2H-pyrazole-3-carbo…

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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) 3.97 -0.31 -11.88 1 7 0 79 410.518 5 ↓

Analogs

34857210
34857210
4909479
4909479

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Popular Name: 7-(2,4-difluorobenzoyl)-10-(4-methoxyphenyl)-7,10-diazaspiro[4.5]decan-9-one 7-(2,4-difluorobenzoyl)-10-(4-me…

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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) 3.60 2.07 -13.84 0 5 0 50 400.425 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.49 1.78 -17.2 0 7 0 76 422.481 5 ↓

Analogs

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Popular Name: 9-(5-isopropyl-2-methyl-pyrazole-3-carbonyl)-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one 9-(5-isopropyl-2-methyl-pyrazole…

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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) 3.78 1.05 -10.04 0 7 0 68 410.518 4 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-9-(5-methylisoxazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one 6-(4-methoxyphenyl)-9-(5-methyli…

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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) 2.76 1.71 -11.66 0 7 0 76 369.421 3 ↓

Analogs

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Popular Name: 9-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one 9-[3-[(3,5-dimethylpyrazol-1-yl)…

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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) 3.80 1.17 -14.85 0 7 0 68 472.589 5 ↓

Parameters Provided:

ring.id = 59545
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 = 59545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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