UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7446774
7446774
9578764
9578764

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Popular Name: N-[2-[6-(3-morpholinopropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(3-morpholinopropylamino…

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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) 1.36 3.82 -20.25 2 10 0 114 445.549 10 ↓
Mid Mid (pH 6-8) 1.36 6.09 -57.61 3 10 1 115 446.557 10 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(3-morpholinopropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfona 4-fluoro-N-[2-[6-(3-morpholinopr…

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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) 1.52 3.89 -19.57 2 10 0 114 463.539 10 ↓
Mid Mid (pH 6-8) 1.52 6.16 -58.01 3 10 1 115 464.547 10 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-(3-morpholinopropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfona 3-methyl-N-[2-[6-(3-morpholinopr…

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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) 1.79 4.49 -20.22 2 10 0 114 459.576 10 ↓
Mid Mid (pH 6-8) 1.79 6.78 -57.47 3 10 1 115 460.584 10 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-(3-morpholinopropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfon 2-methoxy-N-[2-[6-(3-morpholinop…

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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) 1.37 3.63 -21.16 2 11 0 123 475.575 11 ↓
Mid Mid (pH 6-8) 1.37 5.9 -57.44 3 11 1 124 476.583 11 ↓

Analogs

7446774
7446774

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-(3-morpholinopropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfona 4-methyl-N-[2-[6-(3-morpholinopr…

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) 1.81 4.5 -20.09 2 10 0 114 459.576 10 ↓
Mid Mid (pH 6-8) 1.81 6.78 -57.46 3 10 1 115 460.584 10 ↓

Parameters Provided:

ring.id = 102730
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 = 102730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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