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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: 5-propyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-propyl-4-[2-(3-pyridyl)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) 1.90 8.34 -45.83 0 4 -1 44 247.347 5 ↓
Mid Mid (pH 6-8) 1.18 8.44 -13.01 1 4 0 47 248.355 5 ↓
Lo Low (pH 4.5-6) 1.18 8.9 -49.14 2 4 1 48 249.363 5 ↓

Analogs

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Popular Name: 2-[[4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[2-(3-pyridyl)ethyl]-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) 0.19 8.45 -48.31 0 6 -1 84 263.302 6 ↓
Lo Low (pH 4.5-6) 0.19 8.92 -71.55 1 6 0 85 264.31 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[2-(3-pyridyl)eth…

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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) 0.28 8.27 -48.98 0 6 -1 84 277.329 6 ↓
Lo Low (pH 4.5-6) 0.28 8.74 -73.45 1 6 0 85 278.337 6 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[2-(3-pyridyl)ethy…

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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) 0.85 8.87 -48.52 0 6 -1 84 291.356 7 ↓
Lo Low (pH 4.5-6) 0.85 9.34 -73.32 1 6 0 85 292.364 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-propyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[2-(3-pyridyl)eth…

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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) 1.35 9.65 -48.04 0 6 -1 84 305.383 8 ↓
Lo Low (pH 4.5-6) 1.35 10.12 -73.31 1 6 0 85 306.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-isopropyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[2-(3-pyridyl)…

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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) 1.34 9.29 -48.33 0 6 -1 84 305.383 7 ↓
Lo Low (pH 4.5-6) 1.34 9.76 -73.26 1 6 0 85 306.391 7 ↓

Parameters Provided:

ring.id = 573423
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 = 573423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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