UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-benzyl-4-cyclopropyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-benzyl-4-cyclopropyl-1-phenyl-…

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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) 3.25 10.97 -12.47 0 5 0 53 342.402 4 ↓

Analogs

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Popular Name: 4-cyclopropyl-6-(o-tolylmethyl)-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-6-(o-tolylmethyl)-…

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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) 3.66 11.6 -12.55 0 5 0 53 356.429 4 ↓

Analogs

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Popular Name: 4-cyclopropyl-6-[(3,5-dimethoxyphenyl)methyl]-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-6-[(3,5-dimethoxyp…

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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 9.61 -15.29 0 7 0 71 402.454 6 ↓

Analogs

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Popular Name: methyl 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) 3.43 11.61 -14.33 0 7 0 79 400.438 6 ↓

Analogs

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Popular Name: 6-[(2-chlorophenyl)methyl]-4-cyclopropyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(2-chlorophenyl)methyl]-4-cyc…

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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) 3.88 11.4 -11.5 0 5 0 53 376.847 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-4-cyclopropyl-6-[(3,5-dimethoxyphenyl)methyl]pyrazolo[5,4-d]pyridazin-7-one 1-(3-chlorophenyl)-4-cyclopropyl…

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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) 4.16 10.12 -15.69 0 7 0 71 436.899 6 ↓

Analogs

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Popular Name: methyl 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) 4.29 12.12 -14.32 0 7 0 79 434.883 6 ↓

Analogs

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Popular Name: 4-cyclopropyl-1-(4-fluorophenyl)-6-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-1-(4-fluorophenyl)…

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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) 3.56 11.11 -12.44 0 5 0 53 378.382 4 ↓

Analogs

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Popular Name: 4-cyclopropyl-1-(4-fluorophenyl)-6-(o-tolylmethyl)pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-1-(4-fluorophenyl)…

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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) 3.82 11.78 -10.8 0 5 0 53 374.419 4 ↓

Analogs

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Popular Name: 4-cyclopropyl-6-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-6-[(3,5-dimethoxyp…

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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) 3.46 9.68 -13.55 0 7 0 71 420.444 6 ↓

Analogs

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Popular Name: methyl 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) 3.59 11.68 -12.8 0 7 0 79 418.428 6 ↓

Analogs

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Popular Name: methyl 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) 4.04 12.53 -14.64 0 7 0 79 414.465 6 ↓

Parameters Provided:

ring.id = 125680
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 = 125680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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