UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2S)-2-thiazol-2-ylsulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2S)-2-thiazol-2-ylsulfanylpr…

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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) 3.23 6.05 -10.18 1 5 0 62 387.408 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-thiazol-2-ylsulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2R)-2-thiazol-2-ylsulfanylpr…

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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) 3.23 6.07 -9.53 1 5 0 62 387.408 4 ↓

Analogs

13011708
13011708
34687807
34687807

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Popular Name: 4-[(2R)-2-(4-methylthiazol-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2R)-2-(4-methylthiazol-2-yl)…

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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) 3.45 6.13 -12.3 1 5 0 62 401.435 4 ↓

Analogs

34687807
34687807
13011707
13011707

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Popular Name: 4-[(2S)-2-(4-methylthiazol-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one 4-[(2S)-2-(4-methylthiazol-2-yl)…

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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) 3.45 6.12 -13.28 1 5 0 62 401.435 4 ↓

Parameters Provided:

ring.id = 34911
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 = 34911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=34911&filter.purchasability=annotated

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