UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35425510
35425510
35425745
35425745
35425772
35425772
35425871
35425871

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Popular Name: 2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-phenyl-acetamide 2-(3-oxo-8-pyrrolidin-1-yl-[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) 1.01 8.13 -18.31 1 8 0 85 338.371 4 ↓

Analogs

35425431
35425431
35425465
35425465
35425497
35425497
35425519
35425519
35425562
35425562

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Popular Name: N-(m-tolyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(m-tolyl)-2-(3-oxo-8-pyrrolidi…

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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) 1.43 8.8 -18.24 1 8 0 85 352.398 4 ↓

Analogs

35425500
35425500
35425754
35425754
35425787
35425787
35425790
35425790

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Popular Name: 2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(p-tolyl)acetamide 2-(3-oxo-8-pyrrolidin-1-yl-[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) 1.46 8.8 -18.38 1 8 0 85 352.398 4 ↓

Analogs

35425497
35425497
35425519
35425519
35425568
35425568
35425659
35425659
35425751
35425751

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Popular Name: N-(3,5-dimethylphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3,5-dimethylphenyl)-2-(3-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) 1.83 9.46 -18.42 1 8 0 85 366.425 4 ↓

Analogs

35425465
35425465
35425519
35425519
35425590
35425590
35425632
35425632
35425751
35425751

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Popular Name: N-(3-ethylphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3-ethylphenyl)-2-(3-oxo-8-pyr…

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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) 1.90 9.56 -18.09 1 8 0 85 366.425 5 ↓

Analogs

35425635
35425635
35425754
35425754
35425787
35425787
35425884
35425884

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Popular Name: N-(4-isopropylphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(4-isopropylphenyl)-2-(3-oxo-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) 2.52 10.04 -18.07 1 8 0 85 380.452 5 ↓

Analogs

35425504
35425504
35425548
35425548
35425581
35425581
35425584
35425584
35425817
35425817

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Popular Name: N-(3-methoxyphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3-methoxyphenyl)-2-(3-oxo-8-p…

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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) 1.04 7.42 -18.62 1 9 0 94 368.397 5 ↓

Analogs

35425437
35425437
35425461
35425461
35425504
35425504
35425513
35425513
35425548
35425548

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Popular Name: N-(4-methoxyphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(4-methoxyphenyl)-2-(3-oxo-8-p…

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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) 1.07 7.42 -19.23 1 9 0 94 368.397 5 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3,5-dimethoxyphenyl)-2-(3-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) 1.05 6.73 -21.25 1 10 0 103 398.423 6 ↓

Analogs

35425437
35425437
35425458
35425458
35425461
35425461
35425504
35425504
35425513
35425513

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Popular Name: N-(4-ethoxyphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(4-ethoxyphenyl)-2-(3-oxo-8-py…

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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) 1.44 8.35 -18.97 1 9 0 94 382.424 6 ↓

Analogs

35425587
35425587
35425687
35425687
35425745
35425745
35425871
35425871

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Popular Name: N-(3-methylsulfanylphenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3-methylsulfanylphenyl)-2-(3-…

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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) 1.42 9.15 -18.04 1 8 0 85 384.465 5 ↓

Analogs

35425608
35425608
35425763
35425763
35425856
35425856

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Popular Name: N-(4-fluorophenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(4-fluorophenyl)-2-(3-oxo-8-py…

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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) 1.17 8.19 -18.5 1 8 0 85 356.361 4 ↓

Analogs

35425443
35425443
35425446
35425446
35425507
35425507
35425559
35425559

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Popular Name: N-(3-chlorophenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3-chlorophenyl)-2-(3-oxo-8-py…

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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) 1.66 8.64 -16.95 1 8 0 85 372.816 4 ↓

Analogs

35425446
35425446
35425559
35425559
35425766
35425766

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Popular Name: N-(4-chlorophenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(4-chlorophenyl)-2-(3-oxo-8-py…

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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) 1.69 8.65 -17.95 1 8 0 85 372.816 4 ↓

Analogs

35425446
35425446
35425559
35425559
35425578
35425578
35425672
35425672

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide N-(3-chloro-4-methyl-phenyl)-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) 2.06 9.23 -17.04 1 8 0 85 386.843 4 ↓

Analogs

35425551
35425551
35425555
35425555
35425559
35425559

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(3-oxo-8-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamid N-(3-chloro-4-methoxy-phenyl)-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) 1.67 7.97 -18.5 1 9 0 94 402.842 5 ↓

Parameters Provided:

ring.id = 562335
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 = 562335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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