UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)methyl]benzonitrile 3-[(7,9,9-trioxo-9$l^{6}-thia-8-…

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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) 1.60 -2.3 -14.32 0 5 0 78 298.323 2 ↓

Analogs

11342732
11342732
21787886
21787886
3965091
3965091
4846645
4846645

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Popular Name: 8-(m-tolylmethyl)-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-9-one 8-(m-tolylmethyl)-7,7-dioxo-7$l^…

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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) 2.30 -3.35 -12.36 0 4 0 54 287.34 2 ↓

Analogs

4846597
4846597

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Popular Name: 2-[(2,5-difluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(2,5-difluorophenyl)methyl]-1…

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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) 2.13 5.09 -12.56 0 4 0 54 309.293 2 ↓

Analogs

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Popular Name: 2-[(2-amino-6-bromo-phenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(2-amino-6-bromo-phenyl)methy…

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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) 2.07 3.76 -11.56 2 5 0 80 367.224 2 ↓

Analogs

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Popular Name: 2-benzyl-5,6-dimethoxy-1,1-dioxo-1,2-benzothiazol-3-one 2-benzyl-5,6-dimethoxy-1,1-dioxo…

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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) 1.49 4.08 -11.47 0 6 0 73 333.365 4 ↓

Analogs

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Popular Name: 5,6-dimethoxy-2-(m-tolylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one 5,6-dimethoxy-2-(m-tolylmethyl)-…

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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) 1.92 4.75 -11.5 0 6 0 73 347.392 4 ↓

Analogs

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Popular Name: 5,6-dimethoxy-1,1-dioxo-2-(p-tolylmethyl)-1,2-benzothiazol-3-one 5,6-dimethoxy-1,1-dioxo-2-(p-tol…

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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) 1.94 4.76 -11.49 0 6 0 73 347.392 4 ↓

Analogs

4846597
4846597

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Popular Name: 2-[(2,3-difluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(2,3-difluorophenyl)methyl]-1…

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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) 2.10 5.08 -15.31 0 4 0 54 309.293 2 ↓

Analogs

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Popular Name: 2-[(4-methoxy-3-nitro-phenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(4-methoxy-3-nitro-phenyl)met…

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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) 1.82 5.64 -18.83 0 8 0 110 348.336 4 ↓

Parameters Provided:

ring.id = 2360
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 = 2360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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