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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: 4-[(5-methylpyrazin-2-yl)methyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(5-methylpyrazin-2-yl)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) 1.68 6.36 -46.88 0 5 -1 57 248.335 4 ↓
Mid Mid (pH 6-8) 0.96 6.38 -11.72 1 5 0 59 249.343 4 ↓

Analogs

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Popular Name: 4-[(5-methylpyrazin-2-yl)methyl]-1,2,4-triazole-3-thiol 4-[(5-methylpyrazin-2-yl)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) 0.52 5.11 -50.81 0 5 -1 57 206.254 2 ↓
Mid Mid (pH 6-8) -0.20 4.97 -19.53 1 5 0 59 207.262 2 ↓

Analogs

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Popular Name: 2-[[4-[(5-methylpyrazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(5-methylpyrazin-2-yl)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) -0.03 6.42 -54.18 0 7 -1 97 264.29 5 ↓

Analogs

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

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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) 0.63 6.9 -49.88 0 7 -1 97 292.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.06 6.18 -54.81 0 7 -1 97 278.317 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(5-methylpyrazin-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(5-methylpyrazin-2-yl)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) 1.14 7.68 -49.51 0 7 -1 97 306.371 7 ↓

Analogs

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

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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) 1.12 7.24 -54.12 0 7 -1 97 306.371 6 ↓

Parameters Provided:

ring.id = 210361
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 = 210361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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