UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(o-tolylmethylsulfanyl)pyridazine-3-carboxylic 6-(o-tolylmethylsulfanyl)pyridaz…

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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) 2.76 7.71 -47.99 0 4 -1 66 259.31 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-(o-tolylmethylsulfanyl)pyridazine-4-carboxamidine 5,6-dimethyl-3-(o-tolylmethylsul…

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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) 2.25 5.37 -37.31 4 4 1 77 287.412 4 ↓

Analogs

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Popular Name: [5,6-dimethyl-3-(o-tolylmethylsulfanyl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(o-tolylmethylsu…

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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) 3.05 5.73 -9.27 2 3 0 52 273.405 4 ↓
Mid Mid (pH 6-8) 3.05 6.13 -51.02 3 3 1 53 274.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(o-tolylmethylsulfanyl)pyridazine-4-carboxylic 5,6-dimethyl-3-(o-tolylmethylsul…

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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) 3.44 8.9 -51.14 0 4 -1 66 287.364 4 ↓

Analogs

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Popular Name: 6-(m-tolylmethylsulfanyl)pyridazine-3-carboxylic 6-(m-tolylmethylsulfanyl)pyridaz…

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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) 2.79 7.84 -48.01 0 4 -1 66 259.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(m-tolylmethylsulfanyl)pyridazine-4-carboxamidine 5,6-dimethyl-3-(m-tolylmethylsul…

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) 2.28 5.5 -37.21 4 4 1 77 287.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5,6-dimethyl-3-(m-tolylmethylsulfanyl)pyridazin-4-yl]methanamine [5,6-dimethyl-3-(m-tolylmethylsu…

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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) 3.07 5.86 -9.36 2 3 0 52 273.405 4 ↓
Mid Mid (pH 6-8) 3.07 6.26 -50.99 3 3 1 53 274.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-(m-tolylmethylsulfanyl)pyridazine-4-carboxylic 5,6-dimethyl-3-(m-tolylmethylsul…

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) 3.46 9.03 -51.12 0 4 -1 66 287.364 4 ↓

Analogs

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Popular Name: 3-chloro-6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridazine 3-chloro-6-[(2-methyl-3-nitro-ph…

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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) 4.05 8.29 -10.53 0 5 0 72 295.751 4 ↓

Parameters Provided:

ring.id = 374986
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 = 374986 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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