UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(4-fluorophenyl)methyl]-3-[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) 2.23 10.72 -24.97 1 7 0 81 409.396 6 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(2-chlorophenyl)methyl]-3-[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) 2.70 11.08 -23.32 1 7 0 81 425.851 6 ↓

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanami 3-[7-(3-fluorophenyl)-8-oxo-[1,2…

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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) 2.07 10.04 -24.54 1 8 0 91 421.432 7 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(4-chlorophenyl)methyl]-3-[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) 2.74 11.17 -24.32 1 7 0 81 425.851 6 ↓

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(p-tolylmethyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[1,2…

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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 11.32 -23.73 1 7 0 81 405.433 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(4-fluorophenyl)methyl]propan 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 2.91 11.98 -22.95 1 7 0 81 419.46 6 ↓

Analogs

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Popular Name: N-benzyl-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-benzyl-3-[7-(3,4-dimethylpheny…

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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) 2.75 11.91 -21.85 1 7 0 81 401.47 6 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propan N-[(2-chlorophenyl)methyl]-3-[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) 3.38 12.36 -22.62 1 7 0 81 435.915 6 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propan N-[(4-chlorophenyl)methyl]-3-[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) 3.43 12.43 -22.34 1 7 0 81 435.915 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]propa 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 2.81 11.23 -23.14 1 8 0 91 431.496 7 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(p-tolylmethyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 3.20 12.51 -21.81 1 7 0 81 415.497 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]propa 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 2.78 11.23 -23.63 1 8 0 91 431.496 7 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(1R)-1-phenylethyl]propanamid 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 3.31 12.79 -21.97 1 7 0 81 415.497 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]propanamid 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 3.31 12.78 -21.96 1 7 0 81 415.497 6 ↓

Parameters Provided:

ring.id = 92841
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 = 92841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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