UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-oxo-N-[[(2S)-tetrahydropyran-2-yl]methyl]-1H-pyridazine-3-carboxamide 6-oxo-N-[[(2S)-tetrahydropyran-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) 0.45 -1.64 -41.49 1 6 -1 87 236.251 3 ↓
Lo Low (pH 4.5-6) 0.00 0.22 -8.4 2 6 0 84 237.259 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-oxo-N-[[(2R)-tetrahydropyran-2-yl]methyl]-1H-pyridazine-3-carboxamide 6-oxo-N-[[(2R)-tetrahydropyran-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.45 -1.57 -41.55 1 6 -1 87 236.251 3 ↓
Lo Low (pH 4.5-6) 0.00 0.28 -8.25 2 6 0 84 237.259 3 ↓

Analogs

42434803
42434803
42434804
42434804
38106402
38106402

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Popular Name: 6-chloro-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyridazine-3-carboxamide 6-chloro-N-methyl-N-[[(2S)-tetra…

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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) 1.60 5.44 -8.26 0 5 0 55 269.732 3 ↓

Analogs

42434803
42434803
42434804
42434804
38106402
38106402

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyridazine-3-carboxamide 6-chloro-N-methyl-N-[[(2R)-tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.60 4.77 -6.39 0 5 0 55 269.732 3 ↓

Parameters Provided:

ring.id = 546289
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 = 546289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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