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

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Popular Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2S)-N-(2,6-dimethylphenyl)-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) 1.50 1.79 -42.56 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 1.04 3.42 -11.69 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: (2R)-N-(2,6-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2R)-N-(2,6-dimethylphenyl)-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) 1.50 1.9 -43.54 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 1.04 3.53 -12.1 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N-(3-chloro-4-fluoro-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) 1.54 -0.57 -36.84 2 7 -1 111 329.72 4 ↓
Mid Mid (pH 6-8) 1.08 1.07 -13.55 3 7 0 108 330.728 4 ↓

Analogs

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Popular Name: (2S)-N-(2,3-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2S)-N-(2,3-dimethylphenyl)-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) 2.44 1.59 -43.73 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 1.98 3.23 -12.12 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: (2R)-N-(2,3-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2R)-N-(2,3-dimethylphenyl)-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) 2.44 1.61 -45.19 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 1.98 3.23 -12.66 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 2.48 1.44 -41.73 2 7 -1 111 373.336 6 ↓
Mid Mid (pH 6-8) 2.03 3.08 -9.63 3 7 0 108 374.344 6 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 2.48 1.46 -40.46 2 7 -1 111 373.336 6 ↓
Mid Mid (pH 6-8) 2.03 3.08 -9.91 3 7 0 108 374.344 6 ↓

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2S)-N-(2-chlorophenyl)-2-[(3,5-…

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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) 2.27 0.8 -41.48 2 7 -1 111 339.784 5 ↓
Mid Mid (pH 6-8) 1.81 2.43 -9.97 3 7 0 108 340.792 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chlorophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2R)-N-(2-chlorophenyl)-2-[(3,5-…

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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) 2.27 0.82 -41.42 2 7 -1 111 339.784 5 ↓
Mid Mid (pH 6-8) 1.81 2.45 -10.24 3 7 0 108 340.792 5 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.80 0.26 -41.78 2 7 -1 111 323.329 5 ↓
Mid Mid (pH 6-8) 1.34 1.88 -13.05 3 7 0 108 324.337 5 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.80 0.27 -40.92 2 7 -1 111 323.329 5 ↓
Mid Mid (pH 6-8) 1.34 1.89 -13.23 3 7 0 108 324.337 5 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.17 -1.08 -42.44 2 8 -1 120 321.338 5 ↓
Mid Mid (pH 6-8) 0.71 0.55 -15.72 3 8 0 117 322.346 5 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.17 -1.09 -42.47 2 8 -1 120 321.338 5 ↓
Mid Mid (pH 6-8) 0.71 0.53 -15.69 3 8 0 117 322.346 5 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(m-tolyl)propanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.56 0.3 -38.41 2 7 -1 111 305.339 4 ↓
Mid Mid (pH 6-8) 1.10 1.9 -12.33 3 7 0 108 306.347 4 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(m-tolyl)propanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.56 0.28 -38.88 2 7 -1 111 305.339 4 ↓
Mid Mid (pH 6-8) 1.10 1.92 -12.45 3 7 0 108 306.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.64 -0.39 -44.13 2 8 -1 120 335.365 6 ↓
Mid Mid (pH 6-8) 1.19 1.23 -11.49 3 8 0 117 336.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.64 -0.4 -43.73 2 8 -1 120 335.365 6 ↓
Mid Mid (pH 6-8) 1.19 1.23 -11.64 3 8 0 117 336.373 6 ↓

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2S)-N-(3-chlorophenyl)-2-[(3,5-…

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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 0.72 -43.24 2 7 -1 111 339.784 5 ↓
Mid Mid (pH 6-8) 1.83 2.34 -13.7 3 7 0 108 340.792 5 ↓

Analogs

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Popular Name: (2R)-N-(3-chlorophenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2R)-N-(3-chlorophenyl)-2-[(3,5-…

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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 0.72 -42.34 2 7 -1 111 339.784 5 ↓
Mid Mid (pH 6-8) 1.83 2.34 -13.97 3 7 0 108 340.792 5 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.75 0.29 -42.2 2 7 -1 111 323.329 5 ↓
Mid Mid (pH 6-8) 1.29 1.91 -10.47 3 7 0 108 324.337 5 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.75 0.31 -42.34 2 7 -1 111 323.329 5 ↓
Mid Mid (pH 6-8) 1.29 1.94 -10.67 3 7 0 108 324.337 5 ↓

Analogs

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Popular Name: (2S)-N-(3,4-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2S)-N-(3,4-dimethylphenyl)-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) 2.46 1.41 -43.74 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 2.00 3.03 -12.3 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: (2R)-N-(3,4-dimethylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanamide (2R)-N-(3,4-dimethylphenyl)-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) 2.46 1.41 -43.02 2 7 -1 111 333.393 5 ↓
Mid Mid (pH 6-8) 2.00 3.03 -12.49 3 7 0 108 334.401 5 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-ethylphenyl)butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 2.50 1.85 -44.83 2 7 -1 111 333.393 6 ↓
Mid Mid (pH 6-8) 2.05 3.49 -12.01 3 7 0 108 334.401 6 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-ethylphenyl)butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 2.50 1.87 -42.73 2 7 -1 111 333.393 6 ↓
Mid Mid (pH 6-8) 2.05 3.51 -11.64 3 7 0 108 334.401 6 ↓

Parameters Provided:

ring.id = 551814
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 = 551814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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