UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 4-chloro-3-[(5,7-dimethyl-[1,2,4…

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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) 1.59 6.12 -58.36 1 9 -1 129 394.82 5 ↓

Analogs

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Popular Name: 2-chloro-5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 2-chloro-5-[(5,7-dimethyl-[1,2,4…

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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) 1.25 6.47 -60.71 1 9 -1 129 394.82 5 ↓

Analogs

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Popular Name: 2,4-dichloro-5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 2,4-dichloro-5-[(5,7-dimethyl-[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) 1.86 6.51 -56.81 1 9 -1 129 429.265 5 ↓

Analogs

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Popular Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 3-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 0.96 6.07 -63.93 1 9 -1 129 360.375 5 ↓

Analogs

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Popular Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-4-methoxy-benzoic 3-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 0.97 5.9 -65.03 1 10 -1 139 390.401 6 ↓

Analogs

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Popular Name: 2-bromo-5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 2-bromo-5-[(5,7-dimethyl-[1,2,4]…

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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) 1.39 6.57 -59.91 1 9 -1 129 439.271 5 ↓

Analogs

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Popular Name: 5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-2-methyl-benzoic 5-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 1.02 6.61 -62.13 1 9 -1 129 374.402 5 ↓

Analogs

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Popular Name: 5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-2-fluoro-benzoic 5-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 0.74 6.11 -63.79 1 9 -1 129 378.365 5 ↓

Analogs

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Popular Name: 4-bromo-3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]benzoic 4-bromo-3-[(5,7-dimethyl-[1,2,4]…

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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) 1.72 6.8 -60.23 1 9 -1 129 439.271 5 ↓

Analogs

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Popular Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-4,5-dimethyl-benzoic 3-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 1.74 7.51 -69.8 1 9 -1 129 388.429 5 ↓

Analogs

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Popular Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-4-fluoro-benzoic 3-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 1.08 5.82 -58.84 1 9 -1 129 378.365 5 ↓

Analogs

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Popular Name: 5-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-2-hydroxy-benzoic 5-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 0.99 4.15 -63.4 2 10 -1 150 376.374 5 ↓

Analogs

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Popular Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methylsulfamoyl]-4-methyl-benzoic 3-[(5,7-dimethyl-[1,2,4]triazolo…

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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) 1.36 6.95 -69.05 1 9 -1 129 374.402 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)methyl]-2-(trifluoromethyl)benzenesul 4-chloro-N-[(5,7-dimethyl-[1,2,4…

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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) 2.58 8.37 -22.94 1 7 0 89 419.816 5 ↓
Hi High (pH 8-9.5) 2.58 8.11 -50.52 0 7 -1 91 418.808 5 ↓

Parameters Provided:

ring.id = 131167
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 = 131167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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