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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: 2-(2,6-Dimethyl-phenoxy)-N-(4-ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-acetamide 2-(2,6-Dimethyl-phenoxy)-N-(4-et…

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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) 1.29 8.51 -16.14 2 6 0 72 320.418 6 ↓
Mid Mid (pH 6-8) 2.02 8.29 -46 1 6 -1 69 319.41 6 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenoxy)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(4-tert-butylphenoxy)-N-[(4-et…

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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) 2.19 9.36 -16.91 2 6 0 72 348.472 7 ↓
Mid Mid (pH 6-8) 2.92 9.14 -45.94 1 6 -1 69 347.464 7 ↓

Analogs

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Popular Name: (2R)-2-(2-cyanophenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2R)-2-(2-cyanophenoxy)-N-[(4-is…

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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) 0.92 8.25 -22.54 2 7 0 96 345.428 6 ↓
Mid Mid (pH 6-8) 1.65 8.06 -50.94 1 7 -1 93 344.42 6 ↓

Analogs

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Popular Name: (2S)-2-(2-cyanophenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2S)-2-(2-cyanophenoxy)-N-[(4-is…

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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) 0.92 8.25 -22.53 2 7 0 96 345.428 6 ↓
Mid Mid (pH 6-8) 1.65 8.06 -50.84 1 7 -1 93 344.42 6 ↓

Analogs

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Popular Name: 2-(2,4-dimethylphenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(2,4-dimethylphenoxy)-N-[(4-is…

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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) 1.68 8.65 -15.92 2 6 0 72 334.445 6 ↓
Mid Mid (pH 6-8) 2.40 8.45 -44.99 1 6 -1 69 333.437 6 ↓

Analogs

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Popular Name: (2R)-2-(3-tert-butylphenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2R)-2-(3-tert-butylphenoxy)-N-[…

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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) 2.90 10.18 -15.15 2 6 0 72 376.526 7 ↓
Mid Mid (pH 6-8) 3.62 9.99 -43.64 1 6 -1 69 375.518 7 ↓

Analogs

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Popular Name: (2S)-2-(3-tert-butylphenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2S)-2-(3-tert-butylphenoxy)-N-[…

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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) 2.90 10.17 -15.54 2 6 0 72 376.526 7 ↓
Mid Mid (pH 6-8) 3.62 9.98 -44.41 1 6 -1 69 375.518 7 ↓

Analogs

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Popular Name: (2S)-2-(2-isopropyl-5-methyl-phenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanami (2S)-2-(2-isopropyl-5-methyl-phe…

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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) 2.63 10.54 -15.32 2 6 0 72 376.526 7 ↓
Mid Mid (pH 6-8) 3.36 10.34 -44.45 1 6 -1 69 375.518 7 ↓

Analogs

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Popular Name: (2R)-2-(2-isopropyl-5-methyl-phenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanami (2R)-2-(2-isopropyl-5-methyl-phe…

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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) 2.63 10.5 -15.28 2 6 0 72 376.526 7 ↓
Mid Mid (pH 6-8) 3.36 10.31 -44.21 1 6 -1 69 375.518 7 ↓

Analogs

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Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(3-methylphenoxy)acetamide N-[(4-isopropyl-5-sulfanyl-1,2,4…

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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) 1.28 7.94 -16.39 2 6 0 72 320.418 6 ↓
Mid Mid (pH 6-8) 2.00 7.75 -45.27 1 6 -1 69 319.41 6 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-methyl-propanamide 2-(4-chlorophenoxy)-N-[(4-isopro…

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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) 2.34 8.67 -14.19 2 6 0 72 368.89 6 ↓
Mid Mid (pH 6-8) 3.07 8.47 -42.36 1 6 -1 69 367.882 6 ↓

Analogs

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Popular Name: 2-(2-chlorophenoxy)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(2-chlorophenoxy)-N-[(4-isopro…

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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) 1.48 7.8 -18.06 2 6 0 72 340.836 6 ↓
Mid Mid (pH 6-8) 2.21 7.61 -46.7 1 6 -1 69 339.828 6 ↓

Analogs

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Popular Name: (2R)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(3-isopropylphenoxy)propanamide (2R)-N-[(4-ethyl-5-sulfanyl-1,2,…

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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) 2.34 9.55 -16.37 2 6 0 72 348.472 7 ↓
Mid Mid (pH 6-8) 3.07 9.32 -45.1 1 6 -1 69 347.464 7 ↓

Analogs

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Popular Name: (2S)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(3-isopropylphenoxy)propanamide (2S)-N-[(4-ethyl-5-sulfanyl-1,2,…

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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) 2.34 9.53 -16.84 2 6 0 72 348.472 7 ↓
Mid Mid (pH 6-8) 3.07 9.31 -45.78 1 6 -1 69 347.464 7 ↓

Analogs

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Popular Name: (2R)-2-(4-chlorophenoxy)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2R)-2-(4-chlorophenoxy)-N-[(4-e…

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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) 1.53 8.14 -16.69 2 6 0 72 340.836 6 ↓
Mid Mid (pH 6-8) 2.26 7.92 -44.69 1 6 -1 69 339.828 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenoxy)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]propanamide (2S)-2-(4-chlorophenoxy)-N-[(4-e…

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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) 1.53 8.14 -16.71 2 6 0 72 340.836 6 ↓
Mid Mid (pH 6-8) 2.26 7.92 -44.83 1 6 -1 69 339.828 6 ↓

Parameters Provided:

ring.id = 171529
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 = 171529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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