UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(methylamino)quinoline-6-sulfonamide N-(cyclobutylmethyl)-2-(methylam…

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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) 2.23 3.62 -12.09 2 5 0 71 305.403 5 ↓
Lo Low (pH 4.5-6) 2.23 4.06 -36.37 3 5 1 72 306.411 5 ↓

Analogs

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Popular Name: 2-amino-N-(cyclobutylmethyl)quinoline-6-sulfonamide 2-amino-N-(cyclobutylmethyl)quin…

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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) 1.86 2.71 -12.16 3 5 0 85 291.376 4 ↓
Lo Low (pH 4.5-6) 1.86 3.15 -38.54 4 5 1 86 292.384 4 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-N-methyl-quinoline-6-sulfonamide 2-chloro-N-(cyclobutylmethyl)-N-…

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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) 3.29 6.22 -11.24 0 4 0 50 324.833 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(cyclobutylmethyl)-N-methyl-quinoline-6-sulfonamide 2-amino-N-(cyclobutylmethyl)-N-m…

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) 2.10 4.54 -12.55 2 5 0 76 305.403 4 ↓

Parameters Provided:

ring.id = 11170
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 = 11170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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