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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-(3-diethylaminopropyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2,6-dicar (6R)-N'-cycloheptyl-N-(3-diethyl…

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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) 2.36 8.14 -48.93 3 9 1 101 461.631 9 ↓

Analogs

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

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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) 2.36 7.57 -50.23 3 9 1 101 461.631 9 ↓

Analogs

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

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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) 1.94 5.31 -14.95 2 9 0 106 433.553 8 ↓

Analogs

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

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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) 1.94 5.03 -18.9 2 9 0 106 433.553 8 ↓

Analogs

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

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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) 1.56 4.32 -15.05 2 9 0 106 419.526 7 ↓

Analogs

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

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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) 1.56 4.05 -18.99 2 9 0 106 419.526 7 ↓

Analogs

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

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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) 2.30 6.08 -14.87 2 9 0 106 447.58 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.30 5.8 -18.76 2 9 0 106 447.58 8 ↓

Analogs

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

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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) 2.98 8.17 -14.68 2 8 0 96 463.648 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.98 7.89 -18.65 2 8 0 96 463.648 9 ↓

Parameters Provided:

ring.id = 86158
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 = 86158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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