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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamid N-[2-(4-isopropyl-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) 2.98 9.77 -18.76 2 5 0 63 352.548 6 ↓
Mid Mid (pH 6-8) 3.70 9.71 -51.18 1 5 -1 60 351.54 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetamid N-[2-(4-isopropyl-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) 2.98 9.7 -18.67 2 5 0 63 352.548 6 ↓
Mid Mid (pH 6-8) 3.70 9.64 -51 1 5 -1 60 351.54 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamid N-[2-(4-isopropyl-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) 2.98 9.7 -18.69 2 5 0 63 352.548 6 ↓
Mid Mid (pH 6-8) 3.70 9.64 -50.99 1 5 -1 60 351.54 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamid N-[2-(4-isopropyl-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) 2.98 9.77 -18.76 2 5 0 63 352.548 6 ↓
Mid Mid (pH 6-8) 3.70 9.71 -51.09 1 5 -1 60 351.54 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

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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) 2.61 9.54 -20.04 2 5 0 63 338.521 6 ↓
Mid Mid (pH 6-8) 3.34 9.31 -52.42 1 5 -1 60 337.513 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetamide N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

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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) 2.61 9.47 -19.93 2 5 0 63 338.521 6 ↓
Mid Mid (pH 6-8) 3.34 9.24 -52.34 1 5 -1 60 337.513 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

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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) 2.61 9.47 -19.94 2 5 0 63 338.521 6 ↓
Mid Mid (pH 6-8) 3.34 9.24 -52.21 1 5 -1 60 337.513 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide N-[2-(4-ethyl-5-sulfanyl-1,2,4-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.61 9.54 -20.04 2 5 0 63 338.521 6 ↓
Mid Mid (pH 6-8) 3.34 9.31 -52.44 1 5 -1 60 337.513 6 ↓

Parameters Provided:

ring.id = 462851
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 = 462851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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