UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12037807
12037807

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Popular Name: 8-methyl-N-(4-methylsulfanylphenyl)-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamid 8-methyl-N-(4-methylsulfanylphen…

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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) 3.03 -2.27 -13.18 2 4 0 58 344.461 3 ↓

Analogs

12037803
12037803

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Popular Name: 8-methyl-N-(4-methylsulfanylphenyl)-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamid 8-methyl-N-(4-methylsulfanylphen…

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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) 3.03 -2.27 -13.59 2 4 0 58 344.461 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (2S)-2-methyl-3-oxo-N-[2-propoxy…

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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) 4.35 8.37 -12.34 2 5 0 67 424.444 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide (2R)-2-methyl-3-oxo-N-[2-propoxy…

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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) 4.35 8.42 -12.02 2 5 0 67 424.444 6 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2,4-dimethylphenyl)-3-oxo-4H-…

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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) 3.06 7.08 -12.48 2 4 0 58 312.394 2 ↓

Analogs

15940516
15940516

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Popular Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2S)-N-[5-(dimethylsulfamoyl)-2-…

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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) 1.89 3.56 -20.35 2 8 0 105 435.527 5 ↓

Analogs

15940514
15940514

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Popular Name: (2R)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2R)-N-[5-(dimethylsulfamoyl)-2-…

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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) 1.89 3.61 -20.06 2 8 0 105 435.527 5 ↓

Analogs

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Popular Name: N-(2,4-dibromophenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2,4-dibromophenyl)-3-oxo-4H-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) 3.78 6.92 -8.99 2 4 0 58 442.132 2 ↓

Analogs

16020227
16020227

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Popular Name: N-(2,6-dimethylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2,6-dimethylphenyl)-3-oxo-4H-…

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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) 2.09 7.39 -12.38 2 4 0 58 312.394 2 ↓

Analogs

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Popular Name: N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[2-(difluoromethoxy)phenyl]-3-…

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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) 2.80 5.23 -13.28 2 5 0 67 350.346 4 ↓

Analogs

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Popular Name: N-(2-acetylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2-acetylphenyl)-3-oxo-4H-1,4-…

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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) 2.08 6.47 -13.05 2 5 0 75 326.377 3 ↓

Analogs

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Popular Name: 3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-carboxamide 3-oxo-N-(2,4,6-trimethylphenyl)-…

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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) 2.50 7.82 -11.88 2 4 0 58 326.421 2 ↓

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[5-chloro-2-(dimethylamino)phe…

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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) 2.94 7.28 -11.55 2 5 0 61 361.854 3 ↓

Analogs

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Popular Name: N-ethyl-3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide N-ethyl-3-oxo-N-phenyl-4H-1,4-be…

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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) 2.85 7.21 -11.91 1 4 0 49 312.394 3 ↓

Analogs

6288882
6288882

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2-ethoxy-4-methyl-phenyl)-3-o…

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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) 3.04 6.56 -11.3 2 5 0 67 342.42 4 ↓

Analogs

55638895
55638895

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[4-[(1S)-1-methylpropoxy]pheny…

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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) 3.53 7.24 -12.96 2 5 0 67 356.447 5 ↓

Analogs

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Popular Name: N-(3-chloro-2-hydroxy-phenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(3-chloro-2-hydroxy-phenyl)-3-…

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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) 2.59 3.36 -11.08 3 5 0 78 334.784 2 ↓
Hi High (pH 8-9.5) 2.59 4.12 -40.61 2 5 -1 81 333.776 2 ↓

Analogs

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-(2-isopropyl-6-methyl-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) 2.68 8.62 -11.75 2 4 0 58 340.448 3 ↓

Parameters Provided:

ring.id = 83948
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 = 83948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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