UCSF
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Analogs

7446774
7446774
9578766
9578766

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

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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) 2.87 8.36 -17.73 1 8 0 92 400.508 6 ↓

Analogs

7446774
7446774
9578764
9578764

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

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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) 3.04 8.43 -17.02 1 8 0 92 418.498 6 ↓

Analogs

7446774
7446774
9578766
9578766

Draw Identity 99% 90% 80% 70%

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

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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) 3.30 9.04 -17.7 1 8 0 92 414.535 6 ↓

Analogs

7446774
7446774
13848180
13848180

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

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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) 2.88 8.18 -18.68 1 9 0 102 430.534 7 ↓

Analogs

7446774
7446774

Draw Identity 99% 90% 80% 70%

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

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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) 3.32 9.05 -17.66 1 8 0 92 414.535 6 ↓

Parameters Provided:

ring.id = 102841
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 = 102841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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