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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: N-[1-(4-Isobutyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide N-[1-(4-Isobutyl-5-mercapto-4H-[…

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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) 1.82 7.97 -11.52 2 5 0 63 304.419 5 ↓
Mid Mid (pH 6-8) 2.55 7.77 -43.69 1 5 -1 60 303.411 5 ↓

Analogs

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Popular Name: N-[1-(4-Isobutyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide N-[1-(4-Isobutyl-5-mercapto-4H-[…

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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) 1.82 7.87 -11.56 2 5 0 63 304.419 5 ↓
Mid Mid (pH 6-8) 2.55 8.14 -43.49 1 5 -1 60 303.411 5 ↓

Analogs

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Popular Name: 2-Fluoro-N-(4-isobutyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-benzamide 2-Fluoro-N-(4-isobutyl-5-mercapt…

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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) 1.38 7.48 -15.72 2 5 0 63 308.382 5 ↓
Mid Mid (pH 6-8) 2.11 7.28 -45.69 1 5 -1 60 307.374 5 ↓

Analogs

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Popular Name: N-[1-(4-Isopropyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide N-[1-(4-Isopropyl-5-mercapto-4H-…

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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) 1.44 7.15 -11.36 2 5 0 63 290.392 4 ↓
Mid Mid (pH 6-8) 2.17 7.21 -42.61 1 5 -1 60 289.384 4 ↓

Analogs

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Popular Name: N-[1-(4-Isopropyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide N-[1-(4-Isopropyl-5-mercapto-4H-…

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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) 1.44 7.15 -11.38 2 5 0 63 290.392 4 ↓
Mid Mid (pH 6-8) 2.17 7.21 -42.59 1 5 -1 60 289.384 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-3-methyl-1-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)butyl]benzamide 4-chloro-N-[(1S)-3-methyl-1-(4-m…

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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) 2.66 8.07 -11.4 2 5 0 63 338.864 5 ↓
Mid Mid (pH 6-8) 3.38 8.16 -41.24 1 5 -1 60 337.856 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-3-methyl-1-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)butyl]benzamide 4-chloro-N-[(1R)-3-methyl-1-(4-m…

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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) 2.66 8.79 -17.14 2 5 0 63 338.864 5 ↓
Mid Mid (pH 6-8) 3.38 8.45 -40.45 1 5 -1 60 337.856 5 ↓

Analogs

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Popular Name: N-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-2-methoxy-benzamide N-(5-Mercapto-4-methyl-4H-[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) 0.70 6.14 -16.57 2 6 0 72 278.337 4 ↓
Mid Mid (pH 6-8) 1.43 5.9 -46.83 1 6 -1 69 277.329 4 ↓

Analogs

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Popular Name: N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-methoxy-benzamide N-(4-Ethyl-5-mercapto-4H-[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) 1.08 7.03 -16.14 2 6 0 72 292.364 5 ↓
Mid Mid (pH 6-8) 1.80 6.81 -47.1 1 6 -1 69 291.356 5 ↓

Analogs

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Popular Name: 3-chloro-4-hydroxy-N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 3-chloro-4-hydroxy-N-[(4-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) 0.53 3.3 -16.6 3 6 0 83 298.755 3 ↓
Hi High (pH 8-9.5) 1.26 3.83 -84.3 1 6 -2 83 296.739 3 ↓
Mid Mid (pH 6-8) 1.26 3.05 -43.62 2 6 -1 80 297.747 3 ↓

Analogs

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Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2,5-difluoro-benzamide N-[(4-ethyl-5-sulfanyl-1,2,4-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) 0.77 6.62 -15.09 2 5 0 63 298.318 4 ↓
Mid Mid (pH 6-8) 1.50 6.39 -45.17 1 5 -1 60 297.31 4 ↓

Analogs

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Popular Name: 5-ethyl-2-hydroxy-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 5-ethyl-2-hydroxy-N-[(4-isopropy…

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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) 2.26 6.68 -13.67 3 6 0 83 320.418 5 ↓
Mid Mid (pH 6-8) 2.99 6.49 -43.76 2 6 -1 80 319.41 5 ↓

Analogs

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Popular Name: 2,5-difluoro-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 2,5-difluoro-N-[(4-isopropyl-5-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) 1.14 6.84 -13.99 2 5 0 63 312.345 4 ↓
Mid Mid (pH 6-8) 1.86 6.65 -43.92 1 5 -1 60 311.337 4 ↓

Analogs

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Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-benzamide 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) 1.44 7.26 -15.04 2 6 0 72 306.391 5 ↓
Mid Mid (pH 6-8) 2.17 7.05 -45.96 1 6 -1 69 305.383 5 ↓

Analogs

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

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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) 2.04 8.41 -14.22 2 6 0 72 348.472 7 ↓
Mid Mid (pH 6-8) 2.76 8.21 -43.51 1 6 -1 69 347.464 7 ↓

Analogs

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Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-methyl-benzamide 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) 1.31 7.36 -12.6 2 5 0 63 290.392 4 ↓
Mid Mid (pH 6-8) 2.03 7.17 -42.67 1 5 -1 60 289.384 4 ↓

Analogs

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Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-3-(trifluoromethyl)benzamide N-[(4-ethyl-5-sulfanyl-1,2,4-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) 1.51 7.52 -16.73 2 5 0 63 348.325 5 ↓
Mid Mid (pH 6-8) 2.23 7.3 -42.87 1 5 -1 60 347.317 5 ↓

Analogs

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Popular Name: 3-(difluoromethoxy)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 3-(difluoromethoxy)-N-[(4-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) 1.11 6.06 -16.7 2 6 0 72 328.344 6 ↓
Mid Mid (pH 6-8) 1.84 5.84 -45.5 1 6 -1 69 327.336 6 ↓

Analogs

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Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-[(E)-methoxyiminomethyl]benzamide N-[(4-ethyl-5-sulfanyl-1,2,4-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) 0.31 6.59 -17.13 2 7 0 84 319.39 6 ↓
Mid Mid (pH 6-8) 1.04 6.35 -45.08 1 7 -1 81 318.382 6 ↓

Analogs

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Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-methyl-5-methylsulfanyl-benzamide N-[(4-ethyl-5-sulfanyl-1,2,4-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) 1.33 8.18 -13.31 2 5 0 63 322.459 5 ↓
Mid Mid (pH 6-8) 2.06 7.94 -45.14 1 5 -1 60 321.451 5 ↓

Parameters Provided:

ring.id = 171536
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 = 171536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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