UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5779908
5779908

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Popular Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[1-(3,4-dimethylphenyl)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) 2.11 -0.2 -31.68 1 4 0 54 316.426 5 ↓

Analogs

5779906
5779906

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Popular Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[1-(3,4-dimethylphenyl)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) 2.11 -0.2 -31.92 1 4 0 54 316.426 5 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[(4-fluorophenyl)methyl]-2-[(1…

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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) 0.89 -0.83 -31.61 1 4 0 54 292.335 5 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[(3,4-dimethoxyphenyl)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) 0.37 -1.23 -34.26 1 6 0 73 334.397 7 ↓

Analogs

5780056
5780056
7302702
7302702
7302703
7302703

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Popular Name: N-benzyl-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-benzyl-2-[(1-oxido-2-pyridyl)s…

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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) 1.09 -1.26 -21.07 1 4 0 54 288.372 5 ↓

Analogs

7302702
7302702
7302703
7302703
5780055
5780055

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Popular Name: N-benzyl-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-benzyl-2-[(1-oxido-2-pyridyl)s…

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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) 1.09 -1.26 -20.82 1 4 0 54 288.372 5 ↓

Analogs

5780176
5780176
5780177
5780177
5780178
5780178

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Popular Name: N-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-[1-(2,4-dichlorophenyl)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) 2.93 -0.77 -21.32 1 4 0 54 371.289 5 ↓

Analogs

5780177
5780177
5780178
5780178
5780175
5780175

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Popular Name: N-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-[1-(2,4-dichlorophenyl)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) 2.93 -0.73 -20.6 1 4 0 54 371.289 5 ↓

Analogs

5780178
5780178
5780175
5780175
5780176
5780176

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Popular Name: N-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-[1-(2,4-dichlorophenyl)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) 2.93 -0.74 -20.74 1 4 0 54 371.289 5 ↓

Analogs

5780175
5780175
5780176
5780176
5780177
5780177

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Popular Name: N-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]propanamide N-[1-(2,4-dichlorophenyl)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) 2.93 -0.71 -21.44 1 4 0 54 371.289 5 ↓

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) 0.90 -0.43 -34.72 1 6 0 80 332.381 7 ↓

Analogs

5780225
5780225

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Popular Name: N-[1-(4-isobutylphenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[1-(4-isobutylphenyl)ethyl]-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) 2.59 9.82 -31.31 1 4 0 55 344.48 7 ↓

Analogs

5780224
5780224

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Popular Name: N-[1-(4-isobutylphenyl)ethyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-[1-(4-isobutylphenyl)ethyl]-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) 2.59 9.8 -31.54 1 4 0 55 344.48 7 ↓

Parameters Provided:

ring.id = 2577
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 = 2577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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