UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19854970
19854970

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Popular Name: 3-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(2-amino-4-methyl-phenyl)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) 2.86 5.41 -9.7 3 4 0 72 297.383 3 ↓

Analogs

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Popular Name: 3-[(4-amino-2-methyl-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(4-amino-2-methyl-phenyl)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) 2.45 5.23 -10.12 3 4 0 72 297.383 3 ↓

Analogs

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Popular Name: 3-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(4-amino-2-fluoro-phenyl)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) 2.17 4.71 -11.41 3 4 0 72 301.346 3 ↓

Analogs

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Popular Name: 3-[(2-amino-4-fluoro-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(2-amino-4-fluoro-phenyl)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) 2.58 4.81 -9.31 3 4 0 72 301.346 3 ↓

Analogs

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Popular Name: 3-[(2-amino-6-chloro-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(2-amino-6-chloro-phenyl)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) 3.07 5.33 -10.5 3 4 0 72 317.801 3 ↓

Analogs

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Popular Name: 3-[(4-amino-2-chloro-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(4-amino-2-chloro-phenyl)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) 2.68 5.12 -10.43 3 4 0 72 317.801 3 ↓

Analogs

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Popular Name: 3-[(2-amino-4-bromo-phenyl)sulfanylmethyl]-1H-quinoxalin-2-one 3-[(2-amino-4-bromo-phenyl)sulfa…

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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) 3.22 5.37 -8.84 3 4 0 72 362.252 3 ↓

Parameters Provided:

ring.id = 546043
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 = 546043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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