UCSF
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Analogs

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Popular Name: 8-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[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) 1.84 5.24 -17.6 2 7 0 88 359.426 4 ↓
Hi High (pH 8-9.5) 2.02 2.6 -48.16 1 7 -1 94 358.418 4 ↓

Analogs

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Popular Name: 8-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[2-(4-chloro-2-isopropyl-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) 2.44 5.85 -17.37 2 7 0 88 393.871 4 ↓
Hi High (pH 8-9.5) 2.63 3.22 -47.36 1 7 -1 94 392.863 4 ↓

Analogs

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Popular Name: 2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxo-ethoxy]benzonitrile 2-[2-(2,4-dioxo-1,3,8-triazaspir…

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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) 0.13 3.18 -26.11 2 8 0 112 328.328 3 ↓
Hi High (pH 8-9.5) 0.32 0.55 -56.17 1 8 -1 118 327.32 3 ↓

Analogs

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Popular Name: 8-[2-(3,4-dimethylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[2-(3,4-dimethylphenoxy)acetyl…

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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) 1.25 4.02 -18 2 7 0 88 331.372 3 ↓
Hi High (pH 8-9.5) 1.43 1.38 -48.62 1 7 -1 94 330.364 3 ↓

Analogs

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Popular Name: 8-[2-(2,4-dibromophenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[2-(2,4-dibromophenoxy)acetyl]…

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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) 1.97 4.05 -19.54 2 7 0 88 461.11 3 ↓
Hi High (pH 8-9.5) 2.15 1.41 -49.05 1 7 -1 94 460.102 3 ↓

Parameters Provided:

ring.id = 145843
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 = 145843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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