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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-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)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) 1.03 6.68 -15.65 2 6 0 72 320.418 6 ↓
Mid Mid (pH 6-8) 1.76 6.48 -44.93 1 6 -1 69 319.41 6 ↓

Analogs

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

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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) 1.72 8.29 -13.97 2 6 0 72 348.472 7 ↓
Mid Mid (pH 6-8) 2.45 8.08 -44.67 1 6 -1 69 347.464 7 ↓

Analogs

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Popular Name: 2-[4-(difluoromethoxy)phenyl]-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-[4-(difluoromethoxy)phenyl]-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) 1.23 6.74 -18.64 2 6 0 72 342.371 7 ↓
Mid Mid (pH 6-8) 1.95 6.51 -48.09 1 6 -1 69 341.363 7 ↓

Analogs

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Popular Name: 2-(2,6-dichlorophenyl)-N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(2,6-dichlorophenyl)-N-[(4-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) 1.50 7.11 -14.19 2 5 0 63 331.228 4 ↓
Mid Mid (pH 6-8) 2.22 6.87 -44.27 1 5 -1 60 330.22 4 ↓

Analogs

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Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide 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) 0.75 7.22 -16.52 2 5 0 63 294.355 5 ↓
Mid Mid (pH 6-8) 1.48 7 -45.43 1 5 -1 60 293.347 5 ↓

Analogs

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

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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) 1.61 7.49 -14.67 2 5 0 63 304.419 4 ↓
Mid Mid (pH 6-8) 2.34 7.27 -43.25 1 5 -1 60 303.411 4 ↓

Analogs

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Popular Name: N-[(1R)-2-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methylamino]-2-oxo-1-phenyl-ethyl]-3-methyl-butana N-[(1R)-2-[(4-ethyl-5-sulfanyl-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) 1.15 8.11 -16.08 3 7 0 92 375.498 8 ↓
Mid Mid (pH 6-8) 1.88 7.87 -45.81 2 7 -1 89 374.49 8 ↓

Analogs

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Popular Name: N-[(1S)-2-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methylamino]-2-oxo-1-phenyl-ethyl]-3-methyl-butana N-[(1S)-2-[(4-ethyl-5-sulfanyl-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) 1.15 8.1 -16.03 3 7 0 92 375.498 8 ↓
Mid Mid (pH 6-8) 1.88 7.86 -45.68 2 7 -1 89 374.49 8 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-2-ethyl-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]butanamide 2-(4-chlorophenyl)-2-ethyl-N-[(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) 2.91 9.39 -14.05 2 5 0 63 366.918 7 ↓
Mid Mid (pH 6-8) 3.63 9.18 -42.99 1 5 -1 60 365.91 7 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-methyl-propanamide 2-(3-bromophenyl)-N-[(4-ethyl-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) 2.37 8.7 -14.83 2 5 0 63 383.315 5 ↓
Mid Mid (pH 6-8) 3.10 8.47 -44.81 1 5 -1 60 382.307 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-2-ethyl-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]butanamide 2-(4-chlorophenyl)-2-ethyl-N-[(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) 3.27 9.61 -12.86 2 5 0 63 380.945 7 ↓
Mid Mid (pH 6-8) 4.00 9.41 -41.86 1 5 -1 60 379.937 7 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-methyl-propanamide 2-(3-bromophenyl)-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) 2.73 8.92 -13.63 2 5 0 63 397.342 5 ↓
Mid Mid (pH 6-8) 3.46 8.72 -43.45 1 5 -1 60 396.334 5 ↓

Parameters Provided:

ring.id = 305379
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 = 305379 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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