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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: 3,7-dimethyl-2-phenyl-5-[(1R)-1-(4-propylpiperazine-1-carbonyl)propyl]pyrazolo[3,4-d]pyridazin-4-one 3,7-dimethyl-2-phenyl-5-[(1R)-1-…

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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) 2.50 11.41 -49.46 1 8 1 77 437.568 6 ↓
Mid Mid (pH 6-8) 2.50 9.2 -14.91 0 8 0 76 436.56 6 ↓

Analogs

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Popular Name: 3,7-dimethyl-2-phenyl-5-[(1S)-1-(4-propylpiperazine-1-carbonyl)propyl]pyrazolo[3,4-d]pyridazin-4-one 3,7-dimethyl-2-phenyl-5-[(1S)-1-…

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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) 2.50 11.41 -50.5 1 8 1 77 437.568 6 ↓
Mid Mid (pH 6-8) 2.50 9.21 -15.14 0 8 0 76 436.56 6 ↓

Analogs

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Popular Name: 3,7-dimethyl-5-[(1R)-1-methyl-2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-pyrazolo[3,4-d]pyridaz 3,7-dimethyl-5-[(1R)-1-methyl-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) 2.00 10.45 -49.97 1 8 1 77 423.541 5 ↓
Mid Mid (pH 6-8) 2.00 8.24 -15.4 0 8 0 76 422.533 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,7-dimethyl-5-[(1S)-1-methyl-2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2-phenyl-pyrazolo[3,4-d]pyridaz 3,7-dimethyl-5-[(1S)-1-methyl-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) 2.00 10.43 -50.54 1 8 1 77 423.541 5 ↓
Mid Mid (pH 6-8) 2.00 8.23 -15.51 0 8 0 76 422.533 5 ↓

Parameters Provided:

ring.id = 371106
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 = 371106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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