UCSF
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Analogs

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Popular Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-8-methyl-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-(4-isopropyl-3-methyl-pheno…

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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) 4.02 9.31 -8.55 1 5 0 59 358.482 5 ↓

Analogs

3379066
3379066
3397515
3397515

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Popular Name: 3-[2-(4-methoxyphenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-quinone 3-[2-(4-methoxyphenoxy)ethyl]-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) 2.66 -0.96 -9.95 1 6 0 67 332.4 5 ↓

Analogs

5292810
5292810
3463143
3463143

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Popular Name: 8-methyl-3-(2-phenoxyethyl)-1,3-diazaspiro[4.5]decane-2,4-quinone 8-methyl-3-(2-phenoxyethyl)-1,3-…

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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) 2.60 -0.96 -9.21 1 5 0 58 302.374 4 ↓

Analogs

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Popular Name: 2-[2-(3-ethylphenoxy)ethyl]-8-methyl-2,4-diazaspiro[4.5]decane-1,3-quinone 2-[2-(3-ethylphenoxy)ethyl]-8-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) 3.50 8.3 -8.58 1 5 0 59 330.428 5 ↓

Analogs

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Popular Name: 2-[2-(3-fluorophenoxy)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 2-[2-(3-fluorophenoxy)ethyl]-2,4…

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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) 2.97 6.32 -8.68 1 5 0 59 306.337 4 ↓

Parameters Provided:

ring.id = 110398
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 = 110398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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