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

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Popular Name: (6R)-N'-cycloheptyl-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6-dic (6R)-N'-cycloheptyl-N-[(2-ethoxy…

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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) 3.09 7.81 -15.64 2 9 0 106 481.597 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6-dic (6S)-N'-cycloheptyl-N-[(2-ethoxy…

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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) 3.09 7.53 -20.1 2 9 0 106 481.597 7 ↓

Analogs

21781201
21781201

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Popular Name: (6R)-N'-cycloheptyl-N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6R)-N'-cycloheptyl-N-[(3,4-dime…

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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) 2.35 6.75 -17.37 2 10 0 115 497.596 7 ↓

Analogs

21781201
21781201

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6S)-N'-cycloheptyl-N-[(3,4-dime…

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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) 2.35 6.46 -21.38 2 10 0 115 497.596 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N'-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6R)-N'-cycloheptyl-N-[(2,3-dime…

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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) 2.53 7.38 -17.21 2 10 0 115 497.596 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6S)-N'-cycloheptyl-N-[(2,3-dime…

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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) 2.53 6.51 -21 2 10 0 115 497.596 7 ↓

Analogs

21781201
21781201

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N'-cycloheptyl-N-[(4-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6-dic (6R)-N'-cycloheptyl-N-[(4-ethoxy…

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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) 3.14 7.74 -15.04 2 9 0 106 481.597 7 ↓

Analogs

21779557
21779557
21779561
21779561
21781201
21781201

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(4-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6-dic (6S)-N'-cycloheptyl-N-[(4-ethoxy…

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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) 3.14 7.47 -18.94 2 9 0 106 481.597 7 ↓

Analogs

21781201
21781201

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N'-cycloheptyl-N-[(4-isopropoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6 (6R)-N'-cycloheptyl-N-[(4-isopro…

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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) 3.50 8.36 -15.12 2 9 0 106 495.624 7 ↓

Analogs

21781201
21781201

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(4-isopropoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6 (6S)-N'-cycloheptyl-N-[(4-isopro…

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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) 3.50 8.08 -19.05 2 9 0 106 495.624 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N'-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6R)-N'-cycloheptyl-N-[(2,4-dime…

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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 6.17 -16.51 2 10 0 115 497.596 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6S)-N'-cycloheptyl-N-[(2,4-dime…

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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 5.91 -20.69 2 10 0 115 497.596 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N'-cycloheptyl-N-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6R)-N'-cycloheptyl-N-[(2,5-dime…

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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 6.21 -16.59 2 10 0 115 497.596 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N'-cycloheptyl-N-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2, (6S)-N'-cycloheptyl-N-[(2,5-dime…

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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 5.78 -21.53 2 10 0 115 497.596 7 ↓

Parameters Provided:

ring.id = 86203
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 = 86203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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