UCSF
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Analogs

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Popular Name: 4-methyl-6-(2-morpholino-2-oxo-ethyl)-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-(2-morpholino-2-oxo-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) 0.49 -0.49 -20.68 0 8 0 82 353.382 3 ↓

Analogs

12228078
12228078
18045146
18045146

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Popular Name: 6-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7- 6-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 1.22 0.33 -20.18 0 8 0 82 381.436 3 ↓

Analogs

18045146
18045146
12228069
12228069

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Popular Name: 6-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7- 6-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 1.22 0.32 -19.82 0 8 0 82 381.436 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-4-methyl-6-(2-morpholino-2-oxo-ethyl)pyrazolo[5,4-d]pyridazin-7-one 1-(4-fluorophenyl)-4-methyl-6-(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) 0.66 0.25 -18.78 0 8 0 82 371.372 3 ↓

Analogs

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Popular Name: 4-methyl-6-(2-morpholino-2-oxo-ethyl)-1-(o-tolyl)pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-(2-morpholino-2-oxo-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) 1.10 -0.05 -21.23 0 8 0 82 367.409 3 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-4-methyl-6-(2-morpholino-2-oxo-ethyl)pyrazolo[5,4-d]pyridazin-7-one 1-(2,4-dimethylphenyl)-4-methyl-…

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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) 1.53 0.27 -21.12 0 8 0 82 381.436 3 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-4-methyl-6-(2-morpholino-2-oxo-ethyl)pyrazolo[5,4-d]pyridazin-7-one 1-(3,4-dimethylphenyl)-4-methyl-…

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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) 1.53 0.12 -20.88 0 8 0 82 381.436 3 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-4-isopropyl-6-(2-morpholino-2-oxo-ethyl)pyrazolo[5,4-d]pyridazin-7-one 1-(3,4-dimethylphenyl)-4-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) 2.58 0.51 -19.75 0 8 0 82 409.49 4 ↓

Parameters Provided:

ring.id = 95880
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 = 95880 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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