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

31795265
31795265

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Popular Name: 1-(4-bromophenyl)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(4-bromophenyl)-2-[(5-isobutyl…

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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) 3.67 8.75 -15.31 1 4 0 59 354.273 6 ↓
Hi High (pH 8-9.5) 3.67 8.58 -40.39 0 4 -1 57 353.265 6 ↓

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(3-bromo-4-methoxy-phenyl)-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) 2.91 7.01 -19.63 1 5 0 68 356.245 6 ↓
Hi High (pH 8-9.5) 2.91 6.85 -41.97 0 5 -1 66 355.237 6 ↓

Analogs

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Popular Name: N-[4-[2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-[(5-ethyl-4H-1,2,4-triaz…

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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) 1.70 6.99 -12.32 2 6 0 88 350.469 7 ↓
Hi High (pH 8-9.5) 1.70 6.8 -47.37 1 6 -1 86 349.461 7 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone 1-[4-(difluoromethoxy)phenyl]-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) 2.07 6.04 -10.16 1 5 0 68 285.275 6 ↓
Hi High (pH 8-9.5) 2.07 5.84 -42.27 0 5 -1 66 284.267 6 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-[4-(difluoromethoxy)phenyl]-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) 3.22 7.15 -16.77 1 5 0 68 327.356 7 ↓
Hi High (pH 8-9.5) 3.22 6.99 -44.54 0 5 -1 66 326.348 7 ↓

Analogs

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Popular Name: 1-(2,6-difluorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(2,6-difluorophenyl)-2-[(5-met…

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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) 1.78 6.39 -11.01 1 4 0 59 269.276 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one (2S)-2-[(5-methyl-4H-1,2,4-triaz…

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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) 2.41 7.6 -10.41 1 4 0 59 261.35 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one (2R)-2-[(5-methyl-4H-1,2,4-triaz…

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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) 2.41 7.66 -10.46 1 4 0 59 261.35 5 ↓

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(2-ethoxyphenyl)-2-[(5-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) 1.93 7.78 -11.51 1 5 0 68 277.349 6 ↓

Analogs

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Popular Name: (2S)-1-(2,4-dichlorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (2S)-1-(2,4-dichlorophenyl)-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) 3.19 8.13 -8.67 1 4 0 59 316.213 4 ↓

Analogs

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Popular Name: (2R)-1-(2,4-dichlorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (2R)-1-(2,4-dichlorophenyl)-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) 3.19 8.13 -8.66 1 4 0 59 316.213 4 ↓

Analogs

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Popular Name: 2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(m-tolyl)ethanone 2-[(5-methyl-4H-1,2,4-triazol-3-…

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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) 1.97 6.99 -8.91 1 4 0 59 247.323 4 ↓

Parameters Provided:

ring.id = 1994
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 = 1994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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