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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[8-(4-methyl-1-piperidyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-[(2-methoxyphenyl)methyl]-2-[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) 1.47 9.17 -17.5 1 9 0 94 410.478 6 ↓

Analogs

35425887
35425887

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Popular Name: 2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolylmethyl)a 2-[8-[(3S,5R)-3,5-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) 2.38 11.08 -15.71 1 8 0 85 408.506 5 ↓

Analogs

35425887
35425887

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Popular Name: 2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolylmethyl)a 2-[8-[(3S,5S)-3,5-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) 2.38 11.26 -15.57 1 8 0 85 408.506 5 ↓

Analogs

35425887
35425887

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolylmethyl)a 2-[8-[(3R,5R)-3,5-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) 2.38 11.25 -15.92 1 8 0 85 408.506 5 ↓

Analogs

35425709
35425709

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Popular Name: 2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxypheny 2-[8-[(3S,5R)-3,5-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) 1.99 9.72 -16.63 1 9 0 94 424.505 6 ↓

Analogs

35425709
35425709

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxypheny 2-[8-[(3S,5S)-3,5-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) 1.99 9.89 -16.72 1 9 0 94 424.505 6 ↓

Analogs

35425709
35425709

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methoxypheny 2-[8-[(3R,5R)-3,5-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) 1.99 9.89 -16.72 1 9 0 94 424.505 6 ↓

Analogs

35425887
35425887

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methylsulfan 2-[8-[(3S,5R)-3,5-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) 2.37 11.44 -16.17 1 8 0 85 440.573 6 ↓

Analogs

35425887
35425887

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methylsulfan 2-[8-[(3S,5S)-3,5-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) 2.37 11.61 -16.28 1 8 0 85 440.573 6 ↓

Analogs

35425887
35425887

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-methylsulfan 2-[8-[(3R,5R)-3,5-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) 2.37 11.61 -16.29 1 8 0 85 440.573 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl 2-[8-[(3S,5R)-3,5-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) 2.10 10.49 -16.12 1 8 0 85 412.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl 2-[8-[(3S,5S)-3,5-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) 2.10 10.66 -16.18 1 8 0 85 412.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl 2-[8-[(3R,5R)-3,5-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) 2.10 10.66 -16.25 1 8 0 85 412.469 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyraz N-[(2-chlorophenyl)methyl]-2-[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) 2.56 10.83 -16.53 1 8 0 85 428.924 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyraz N-[(2-chlorophenyl)methyl]-2-[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) 2.56 11.01 -16.64 1 8 0 85 428.924 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[8-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyraz N-[(2-chlorophenyl)methyl]-2-[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) 2.56 11.01 -16.63 1 8 0 85 428.924 5 ↓

Parameters Provided:

ring.id = 376360
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 = 376360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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