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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: N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-[2-(4-chlorophenyl)ethyl]-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) 3.10 9.88 -20.04 1 7 0 82 435.915 6 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetam N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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 8.55 -23.87 1 9 0 100 461.522 8 ↓

Analogs

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Popular Name: (2S)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)b (2S)-N-[2-(2,4-dimethoxyphenyl)e…

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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) 3.33 9.73 -20.34 1 9 0 100 489.576 9 ↓

Analogs

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Popular Name: (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)b (2R)-N-[2-(2,4-dimethoxyphenyl)e…

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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) 3.33 9.73 -19.93 1 9 0 100 489.576 9 ↓

Analogs

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Popular Name: (2S)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]butana (2S)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.72 11.3 -19.07 1 8 0 91 473.577 9 ↓

Analogs

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Popular Name: (2R)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]butana (2R)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.72 11.3 -19.34 1 8 0 91 473.577 9 ↓

Analogs

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Popular Name: (2S)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(2-methoxyphenyl)ethyl]butan (2S)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.30 10.43 -18.75 1 8 0 91 459.55 8 ↓

Analogs

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Popular Name: (2R)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(2-methoxyphenyl)ethyl]butan (2R)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.30 10.43 -18.53 1 8 0 91 459.55 8 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propan (2S)-N-[2-(4-chlorophenyl)ethyl]…

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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) 3.47 10.65 -18.2 1 7 0 82 449.942 6 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)propan (2R)-N-[2-(4-chlorophenyl)ethyl]…

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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) 3.47 10.65 -18.4 1 7 0 82 449.942 6 ↓

Analogs

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Popular Name: (2S)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-phenethyl-propanamide (2S)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 2.79 10.13 -17.68 1 7 0 82 415.497 6 ↓

Analogs

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Popular Name: (2R)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-phenethyl-propanamide (2R)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 2.79 10.13 -17.9 1 7 0 82 415.497 6 ↓

Analogs

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Popular Name: (2R)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propan (2R)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.22 10.35 -19.51 1 8 0 91 459.55 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-ethoxyphenyl)ethyl]propan (2S)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 3.22 10.35 -19.24 1 8 0 91 459.55 8 ↓

Analogs

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Popular Name: (2S)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(2-methoxyphenyl)ethyl]propa (2S)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 2.80 9.48 -19 1 8 0 91 445.523 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(2-methoxyphenyl)ethyl]propa (2R)-2-(3,7-dimethyl-4-oxo-2-phe…

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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) 2.80 9.48 -18.77 1 8 0 91 445.523 7 ↓

Parameters Provided:

ring.id = 371124
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 = 371124 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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