UCSF
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Analogs

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Popular Name: 2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4,5-dimethyl-oxazole 2-[(1-isobutyl-4,5-dimethyl-imid…

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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) 3.04 7.54 -28.06 1 4 1 45 294.444 5 ↓
Mid Mid (pH 6-8) 3.04 6.9 -10.16 0 4 0 44 293.436 5 ↓

Analogs

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Popular Name: 2-[(1-ethylimidazol-2-yl)sulfanylmethyl]-4,5-dimethyl-oxazole 2-[(1-ethylimidazol-2-yl)sulfany…

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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) 1.85 4.95 -10.08 0 4 0 44 237.328 4 ↓
Mid Mid (pH 6-8) 1.85 5.43 -31.77 1 4 1 45 238.336 4 ↓

Analogs

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Popular Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4,5-dimethyl-oxazole 2-[(1-butyl-4,5-dimethyl-imidazo…

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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) 3.36 7.94 -28.28 1 4 1 45 294.444 6 ↓
Mid Mid (pH 6-8) 3.36 7.49 -10.23 0 4 0 44 293.436 6 ↓

Analogs

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Popular Name: 4,5-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]oxazole 4,5-dimethyl-2-[(1-methylimidazo…

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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) 1.48 4.05 -10.35 0 4 0 44 223.301 3 ↓
Mid Mid (pH 6-8) 1.48 4.54 -32.3 1 4 1 45 224.309 3 ↓

Analogs

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Popular Name: 2-[[1-(2-methoxyethyl)-4,5-dimethyl-imidazol-2-yl]sulfanylmethyl]-4,5-dimethyl-oxazole 2-[[1-(2-methoxyethyl)-4,5-dimet…

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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) 1.91 5.45 -29.34 1 5 1 54 296.416 6 ↓
Mid Mid (pH 6-8) 1.91 5 -10.29 0 5 0 53 295.408 6 ↓

Parameters Provided:

ring.id = 575174
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 = 575174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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