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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: (6R)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6R)-N-[[(2R)-5-methoxy-2-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) 1.42 7.32 -51.6 2 6 1 66 315.397 4 ↓
Hi High (pH 8-9.5) 1.42 6.14 -9.99 1 6 0 61 314.389 4 ↓

Analogs

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Popular Name: (6R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6R)-N-[[(2S)-5-methoxy-2-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) 1.42 7.29 -51.4 2 6 1 66 315.397 4 ↓
Hi High (pH 8-9.5) 1.42 6.12 -9.97 1 6 0 61 314.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6S)-N-[[(2R)-5-methoxy-2-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) 1.42 7.31 -51.31 2 6 1 66 315.397 4 ↓
Hi High (pH 8-9.5) 1.42 6.12 -10.69 1 6 0 61 314.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazo (6S)-N-[[(2S)-5-methoxy-2-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) 1.42 7.28 -51.01 2 6 1 66 315.397 4 ↓
Hi High (pH 8-9.5) 1.42 6.1 -10.75 1 6 0 61 314.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-N-[[(2R)-5-ethoxy-2-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) 1.80 8.28 -51.08 2 6 1 66 329.424 5 ↓
Hi High (pH 8-9.5) 1.80 7.1 -9.63 1 6 0 61 328.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6S)-N-[[(2R)-5-ethoxy-2-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) 1.80 8.27 -50.8 2 6 1 66 329.424 5 ↓
Hi High (pH 8-9.5) 1.80 7.08 -10.33 1 6 0 61 328.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6R)-N-[[(2S)-5-ethoxy-2-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) 1.80 8.27 -50.87 2 6 1 66 329.424 5 ↓
Hi High (pH 8-9.5) 1.80 7.09 -9.66 1 6 0 61 328.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazol (6S)-N-[[(2S)-5-ethoxy-2-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) 1.80 8.26 -50.54 2 6 1 66 329.424 5 ↓
Hi High (pH 8-9.5) 1.80 7.07 -10.32 1 6 0 61 328.416 5 ↓

Parameters Provided:

ring.id = 353409
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 = 353409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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