UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 2.32 6.15 -14.06 1 5 0 68 296.373 6 ↓
Hi High (pH 8-9.5) 2.51 5.09 -36.18 0 5 -1 75 295.365 6 ↓

Analogs

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Popular Name: 2-(5-methyl-2-thienyl)-N-thiazol-2-yl-acetamide 2-(5-methyl-2-thienyl)-N-thiazol…

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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) 2.10 5.69 -15.37 1 3 0 42 238.337 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.54 6.9 -12.45 1 5 0 68 310.4 6 ↓
Hi High (pH 8-9.5) 2.73 5.44 -37.24 0 5 -1 75 309.392 6 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(4,5-dimethylthiazol-2-yl)-2-(…

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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) 2.54 7.02 -15.82 1 3 0 42 266.391 3 ↓

Analogs

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Popular Name: N-(4-methylthiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(4-methylthiazol-2-yl)-2-(5-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) 2.32 5.97 -10.57 1 3 0 42 252.364 3 ↓

Analogs

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Popular Name: N-(5-methylthiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(5-methylthiazol-2-yl)-2-(5-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) 2.32 6.52 -15.4 1 3 0 42 252.364 3 ↓

Analogs

36612183
36612183

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Popular Name: methyl 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) 2.39 6.69 -12.17 1 5 0 68 310.4 5 ↓
Hi High (pH 8-9.5) 2.57 5.21 -37.71 0 5 -1 75 309.392 5 ↓

Analogs

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Popular Name: N-(4-acetylthiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(4-acetylthiazol-2-yl)-2-(5-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) 2.23 6.06 -11.87 1 4 0 59 280.374 4 ↓
Hi High (pH 8-9.5) 2.42 4.51 -35.55 0 4 -1 65 279.366 4 ↓

Analogs

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Popular Name: methyl 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) 2.17 6.53 -17.34 1 5 0 68 296.373 5 ↓
Hi High (pH 8-9.5) 2.35 5.06 -40.96 0 5 -1 75 295.365 5 ↓

Analogs

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Popular Name: 2-(5-methyl-2-thienyl)-N-[4-(trifluoromethyl)thiazol-2-yl]acetamide 2-(5-methyl-2-thienyl)-N-[4-(tri…

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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) 3.23 6.44 -10.37 1 3 0 42 306.334 4 ↓
Hi High (pH 8-9.5) 3.42 5.2 -35.15 0 3 -1 48 305.326 4 ↓

Analogs

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Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(4-ethyl-5-methyl-thiazol-2-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) 3.11 7.44 -10.97 1 3 0 42 280.418 4 ↓

Analogs

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Popular Name: N-(5-ethyl-4-propyl-thiazol-2-yl)-2-(5-methyl-2-thienyl)acetamide N-(5-ethyl-4-propyl-thiazol-2-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) 4.19 8.86 -10.55 1 3 0 42 308.472 6 ↓

Analogs

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Popular Name: methyl 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) 2.38 6.88 -15.5 1 5 0 68 310.4 6 ↓

Analogs

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Popular Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-2-(2-thienyl)acetamide N-[4-(2-amino-2-oxo-ethyl)thiazo…

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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) 1.02 2.13 -18.02 3 5 0 85 281.362 5 ↓

Parameters Provided:

ring.id = 16166
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 = 16166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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