UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 6-methyl-3-[(3R)-3-methylpyrrolidin-3-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-methyl-3-[(3R)-3-methylpyrroli…

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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) 0.71 4.92 -44.09 2 5 1 60 218.284 1 ↓

Analogs

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Popular Name: 6-methyl-3-[(3S)-3-methylpyrrolidin-3-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-methyl-3-[(3S)-3-methylpyrroli…

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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) 0.71 4.81 -45.3 2 5 1 60 218.284 1 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-6-methyl-[1,2,4]triazolo[3,4-f]pyridazine 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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) 1.03 5.08 -47.62 2 5 1 60 232.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-6-methyl-[1,2,4]triazolo[3,4-f]pyridazine 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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) 1.03 5.06 -46.32 2 5 1 60 232.311 2 ↓

Analogs

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Popular Name: 6-methyl-3-[(3S)-3-propylpyrrolidin-3-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-methyl-3-[(3S)-3-propylpyrroli…

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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) 1.59 5.85 -47.93 2 5 1 60 246.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-3-[(3R)-3-propylpyrrolidin-3-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-methyl-3-[(3R)-3-propylpyrroli…

Find On: PubMed — Wikipedia — Google

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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) 1.59 5.82 -46.51 2 5 1 60 246.338 3 ↓

Parameters Provided:

ring.id = 307947
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 = 307947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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