UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 4.79 10.56 -14.13 1 5 0 68 340.766 4 ↓

Analogs

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Popular Name: 4-[(Z)-(4-chloro-3-sulfo-phenyl)azo]-3-hydroxy-naphthalene-2-carboxylic 4-[(Z)-(4-chloro-3-sulfo-phenyl)…

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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) 0.93 6.53 -116.98 1 8 -2 139 404.787 4 ↓

Analogs

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Popular Name: 4-[(Z)-(3-chloro-2-methyl-5-sulfo-phenyl)azo]-3-hydroxy-naphthalene-2-carboxylic 4-[(Z)-(3-chloro-2-methyl-5-sulf…

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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) 1.31 7.03 -125.35 1 8 -2 139 418.814 4 ↓

Analogs

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Popular Name: 4-[(E)-(4-ethoxy-2-sulfo-phenyl)azo]-3-hydroxy-naphthalene-2-carboxylic 4-[(E)-(4-ethoxy-2-sulfo-phenyl)…

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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) 0.69 6.81 -146.4 1 9 -2 148 414.395 6 ↓
Ref Reference (pH 7) 2.29 5.54 -133.72 1 9 -2 152 414.395 6 ↓

Parameters Provided:

ring.id = 5930
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 = 5930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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