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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-3-one 2-[2-[(2S,6R)-2,6-dimethyl-1-pip…

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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) 2.46 10.9 -16.02 0 7 0 73 367.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-3-one 2-[2-[(2S,6S)-2,6-dimethyl-1-pip…

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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) 2.46 11.27 -15.07 0 7 0 73 367.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-3-one 2-[2-[(2R,6R)-2,6-dimethyl-1-pip…

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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) 2.46 11.28 -15.21 0 7 0 73 367.453 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(2S,6R)-2,6-dimet…

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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) 2.46 10.44 -14.15 0 7 0 73 373.844 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(2S,6S)-2,6-dimet…

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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) 2.46 10.85 -13.04 0 7 0 73 373.844 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(2R,6R)-2,6-dimet…

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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) 2.46 10.87 -13.3 0 7 0 73 373.844 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(3S,5R)-3,5-dimet…

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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) 2.51 10.88 -14.45 0 7 0 73 373.844 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(3S,5S)-3,5-dimet…

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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) 2.51 11.13 -14.8 0 7 0 73 373.844 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one 8-chloro-2-[2-[(3R,5R)-3,5-dimet…

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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) 2.51 11.13 -14.27 0 7 0 73 373.844 2 ↓

Parameters Provided:

ring.id = 172631
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 = 172631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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