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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: 7-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]tria 7-[(4-fluorophenyl)methyl]-3-[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) 3.00 13.16 -24.91 0 9 0 85 508.579 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(4-fluorophenyl)methyl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]triaz 7-[(4-fluorophenyl)methyl]-3-[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) 3.16 13.44 -25.55 0 8 0 76 496.543 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(4-fluorophenyl)methyl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]tria 7-[(4-fluorophenyl)methyl]-3-[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) 3.05 12.67 -25.79 0 9 0 85 508.579 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-fluorophenyl)methyl]-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]tria 7-[(2-fluorophenyl)methyl]-3-[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) 2.96 13.14 -27.49 0 9 0 85 508.579 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-fluorophenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-[1,2,4]triazolo[4,3-a]p 7-[(2-fluorophenyl)methyl]-3-[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) 2.95 13.33 -26.75 0 8 0 76 478.553 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-fluorophenyl)methyl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]triaz 7-[(2-fluorophenyl)methyl]-3-[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) 3.11 13.28 -18.84 0 8 0 76 496.543 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-fluorophenyl)methyl]-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]triaz 7-[(2-fluorophenyl)methyl]-3-[2-…

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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) 3.06 13.71 -17.41 0 8 0 76 496.543 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2-fluorophenyl)methyl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-[1,2,4]tria 7-[(2-fluorophenyl)methyl]-3-[2-…

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) 3.00 12.63 -28.39 0 9 0 85 508.579 7 ↓

Parameters Provided:

ring.id = 567888
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 = 567888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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