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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: (6R)-N-[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6R)-N-[(8-chloro-2,3-dihydro-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) 1.36 7.08 -61.55 2 6 1 66 321.788 3 ↓
Hi High (pH 8-9.5) 1.36 5.92 -11.39 1 6 0 61 320.78 3 ↓

Analogs

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Popular Name: (6S)-N-[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6S)-N-[(8-chloro-2,3-dihydro-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) 1.36 7.08 -61.72 2 6 1 66 321.788 3 ↓
Hi High (pH 8-9.5) 1.36 5.9 -12.08 1 6 0 61 320.78 3 ↓

Analogs

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Popular Name: (6R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triaz (6R)-N-[(5-methoxy-2,3-dihydro-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) 0.63 6.29 -63.39 2 7 1 75 331.396 4 ↓
Hi High (pH 8-9.5) 0.63 5.11 -14.44 1 7 0 70 330.388 4 ↓

Analogs

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Popular Name: (6S)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triaz (6S)-N-[(5-methoxy-2,3-dihydro-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) 0.63 6.29 -63.72 2 7 1 75 331.396 4 ↓
Hi High (pH 8-9.5) 0.63 5.13 -14.22 1 7 0 70 330.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazo (6R)-N-[(5-chloro-2,3-dihydro-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) 1.45 6.96 -62.12 2 6 1 66 335.815 3 ↓
Hi High (pH 8-9.5) 1.45 5.78 -12.73 1 6 0 61 334.807 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazo (6S)-N-[(5-chloro-2,3-dihydro-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) 1.45 6.97 -61.97 2 6 1 66 335.815 3 ↓
Hi High (pH 8-9.5) 1.45 5.8 -12.09 1 6 0 61 334.807 3 ↓

Analogs

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Popular Name: (6R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6R)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.70 7.49 -58.94 2 6 1 66 329.424 4 ↓
Hi High (pH 8-9.5) 1.70 6.31 -12.57 1 6 0 61 328.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6S)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.70 7.49 -58.59 2 6 1 66 329.424 4 ↓
Hi High (pH 8-9.5) 1.70 6.34 -11.49 1 6 0 61 328.416 4 ↓

Parameters Provided:

ring.id = 354858
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 = 354858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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