UCSF
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Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(8-azaspiro[4.5]decan-8-yl)imi…

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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) 3.18 9.37 -9.64 0 4 0 38 289.404 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b]thiazole-5-carboxylic 6-(8-azaspiro[4.5]decan-8-yl)imi…

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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) 2.96 9.26 -31.11 1 5 0 62 305.403 2 ↓
Mid Mid (pH 6-8) 2.96 9.07 -56.81 0 5 -1 61 304.395 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b]thiazol-5-yl]methanol [6-(8-azaspiro[4.5]decan-8-yl)im…

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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) 2.73 7.41 -32.01 2 4 1 42 292.428 2 ↓
Mid Mid (pH 6-8) 2.73 7.01 -11.6 1 4 0 41 291.42 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)-5-(chloromethyl)imidazo[2,1-b]thiazole 6-(8-azaspiro[4.5]decan-8-yl)-5-…

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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) 3.96 10.97 -8.98 0 3 0 21 309.866 2 ↓
Mid Mid (pH 6-8) 3.96 11.35 -31.47 1 3 1 22 310.874 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b]thiazol-5-yl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)im…

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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) 2.57 8.11 -119.83 4 4 2 49 292.452 2 ↓
Hi High (pH 8-9.5) 2.57 7.34 -8.9 2 4 0 47 290.436 2 ↓
Mid Mid (pH 6-8) 2.57 7.74 -55.75 3 4 1 48 291.444 2 ↓

Analogs

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Popular Name: 1-[6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b]thiazol-5-yl]-N-methyl-methanamine 1-[6-(8-azaspiro[4.5]decan-8-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) 2.95 9.99 -112.55 3 4 2 38 306.479 3 ↓
Hi High (pH 8-9.5) 2.95 8.16 -8.3 1 4 0 33 304.463 3 ↓
Mid Mid (pH 6-8) 2.95 9.6 -49.66 2 4 1 37 305.471 3 ↓

Parameters Provided:

ring.id = 318397
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 = 318397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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