UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(tosylamino)hexanoic-acid-(2-keto-4-propyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(2-k…

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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) 5.26 -0.53 -22.43 1 7 0 102 471.575 12 ↓

Analogs

2149314
2149314
2149674
2149674

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Popular Name: 6-(tosylamino)hexanoic-acid-(2-keto-3,4-dimethyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(2-k…

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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) 4.78 -0.55 -24.12 1 7 0 102 457.548 10 ↓

Analogs

2149674
2149674

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Popular Name: 6-(tosylamino)hexanoic-acid-(4-ethyl-2-keto-8-methyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(4-e…

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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) 5.25 -0.37 -22.15 1 7 0 102 471.575 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(tosylamino)hexanoic-acid-(2-keto-8-methyl-4-propyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(2-k…

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) 5.63 -0.25 -21.77 1 7 0 102 485.602 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(tosylamino)hexanoic-acid-(4-ethyl-2-keto-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(4-e…

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) 4.87 -0.65 -22.82 1 7 0 102 457.548 11 ↓

Analogs

2149674
2149674

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(tosylamino)hexanoic-acid-(2-keto-4,8-dimethyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(2-k…

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) 4.78 -0.54 -23.03 1 7 0 102 457.548 10 ↓

Analogs

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Popular Name: 6-(tosylamino)hexanoic-acid-(6-chloro-2-keto-3,4-dimethyl-chromen-7-yl)-ester 6-(tosylamino)hexanoic-acid-(6-c…

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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) 5.38 -0.75 -20.6 1 7 0 102 491.993 10 ↓

Parameters Provided:

ring.id = 232225
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 = 232225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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