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

12030033
12030033

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-[(2R)-2-methylbutyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl]pyridi N-[[7-[(2R)-2-methylbutyl]-5,6,8…

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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) 0.79 -1.01 -55.84 2 7 1 77 343.455 6 ↓

Analogs

12030032
12030032

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Popular Name: N-[[7-[(2S)-2-methylbutyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl]pyridi N-[[7-[(2S)-2-methylbutyl]-5,6,8…

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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) 0.79 -0.79 -55 2 7 1 77 343.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)butyl]p 3-hydroxy-N-[(1S)-3-methyl-1-(6,…

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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) 0.52 5.16 -82.43 4 8 1 114 345.427 5 ↓
Hi High (pH 8-9.5) 0.52 4.7 -89.02 3 8 0 112 344.419 5 ↓
Hi High (pH 8-9.5) 0.52 3.26 -54.01 2 8 -1 108 343.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)butyl]p 3-hydroxy-N-[(1R)-3-methyl-1-(6,…

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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) 0.52 5.02 -85 4 8 1 114 345.427 5 ↓
Hi High (pH 8-9.5) 0.52 4.55 -89.45 3 8 0 112 344.419 5 ↓
Hi High (pH 8-9.5) 0.52 3.37 -53.42 2 8 -1 108 343.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)butyl]py 6-methyl-N-[(1S)-3-methyl-1-(6,7…

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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) 0.46 5.96 -60.11 3 7 1 89 343.455 5 ↓
Hi High (pH 8-9.5) 0.46 4.62 -11.67 2 7 0 85 342.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)butyl]py 6-methyl-N-[(1R)-3-methyl-1-(6,7…

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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) 0.46 5.58 -60.77 3 7 1 89 343.455 5 ↓
Hi High (pH 8-9.5) 0.46 4.25 -12.66 2 7 0 85 342.447 5 ↓

Parameters Provided:

ring.id = 80010
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 = 80010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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