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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: (1S)-N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-[3-(2-thienyl (1S)-N-[[(6S)-3-methyl-5,6,7,8-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) 1.97 6.93 -69.54 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.97 5.96 -19.69 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-[3-(2-thienyl (1S)-N-[[(6R)-3-methyl-5,6,7,8-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) 1.97 6.96 -69.53 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.97 5.78 -20.04 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-[3-(2-thienyl (1R)-N-[[(6S)-3-methyl-5,6,7,8-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) 1.97 6.92 -69.57 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.97 5.91 -18.4 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-[3-(2-thienyl (1R)-N-[[(6R)-3-methyl-5,6,7,8-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) 1.97 6.96 -69.48 2 7 1 86 345.452 5 ↓
Hi High (pH 8-9.5) 1.97 5.74 -18.6 1 7 0 82 344.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[3-(2-thienyl)-1,2,4-oxadi 1-[(6S)-3-ethyl-5,6,7,8-tetrahyd…

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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) 1.98 7.08 -73.21 2 7 1 86 345.452 6 ↓
Hi High (pH 8-9.5) 1.98 5.93 -19.16 1 7 0 82 344.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[3-(2-thienyl)-1,2,4-oxadi 1-[(6R)-3-ethyl-5,6,7,8-tetrahyd…

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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) 1.98 7.11 -73.23 2 7 1 86 345.452 6 ↓
Hi High (pH 8-9.5) 1.98 5.74 -19.5 1 7 0 82 344.444 6 ↓

Parameters Provided:

ring.id = 452201
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 = 452201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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