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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 2-[4-[[2-(2-furyl)-5-methyl-oxazol-4-yl]methyl]piperazin-1-yl]ethanol 2-[4-[[2-(2-furyl)-5-methyl-oxaz…

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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) 0.81 0.07 -39.22 2 6 1 67 292.359 5 ↓
Mid Mid (pH 6-8) 0.81 -2.16 -11.64 1 6 0 66 291.351 5 ↓
Mid Mid (pH 6-8) 0.81 0.18 -40.54 2 6 1 67 292.359 5 ↓

Analogs

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Popular Name: 4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-furyl)-5-methyl-oxazole 4-[[(3R)-3-ethyl-4-(2-methoxyeth…

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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) 2.29 4.44 -36.3 1 6 1 56 334.44 7 ↓
Mid Mid (pH 6-8) 2.29 2.29 -11.07 0 6 0 55 333.432 7 ↓
Mid Mid (pH 6-8) 2.29 4.58 -38.55 1 6 1 56 334.44 7 ↓

Analogs

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Popular Name: 4-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-furyl)-5-methyl-oxazole 4-[[(3S)-3-ethyl-4-(2-methoxyeth…

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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) 2.29 3.71 -38.55 1 6 1 56 334.44 7 ↓
Mid Mid (pH 6-8) 2.29 1.47 -10.68 0 6 0 55 333.432 7 ↓
Mid Mid (pH 6-8) 2.29 3.72 -38.68 1 6 1 56 334.44 7 ↓

Analogs

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Popular Name: 4-[(4-butylpiperazin-1-yl)methyl]-2-(2-furyl)-5-methyl-oxazole 4-[(4-butylpiperazin-1-yl)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) 2.88 4.98 -42.78 1 5 1 47 304.414 6 ↓
Hi High (pH 8-9.5) 2.88 2.72 -9.81 0 5 0 46 303.406 6 ↓

Parameters Provided:

ring.id = 499326
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 = 499326 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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