UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35678911
35678911
35678954
35678954
35678957
35678957

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Popular Name: 5-bromo-N-(6-bromo-2-pyridyl)pyridine-3-sulfonamide 5-bromo-N-(6-bromo-2-pyridyl)pyr…

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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) 2.84 3.05 -41.09 0 5 -1 74 392.052 3 ↓

Analogs

703803
703803
6858712
6858712
272197
272197

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Popular Name: N-(5-bromo-2-pyridyl)-6-chloro-pyridine-3-sulfonamide N-(5-bromo-2-pyridyl)-6-chloro-p…

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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) 2.73 3.36 -11.19 1 5 0 72 348.609 3 ↓
Hi High (pH 8-9.5) 2.73 3.42 -33.8 0 5 -1 74 347.601 3 ↓
Lo Low (pH 4.5-6) 2.73 3.53 -36.86 2 5 1 73 349.617 3 ↓

Analogs

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Popular Name: 5-fluoro-N-methyl-N-(2-pyridyl)pyridine-3-sulfonamide 5-fluoro-N-methyl-N-(2-pyridyl)p…

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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) 1.29 3.9 -11.22 0 5 0 63 267.285 3 ↓

Analogs

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Popular Name: N-(5-bromo-2-pyridyl)-5-fluoro-N-methyl-pyridine-3-sulfonamide N-(5-bromo-2-pyridyl)-5-fluoro-N…

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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) 2.27 4.49 -10.42 0 5 0 63 346.181 3 ↓

Analogs

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Popular Name: 6-chloro-N-(5-fluoro-2-pyridyl)pyridine-3-sulfonamide 6-chloro-N-(5-fluoro-2-pyridyl)p…

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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 2.44 -37.52 0 5 -1 74 286.695 3 ↓
Lo Low (pH 4.5-6) 2.26 2.91 -11.93 1 5 0 75 287.703 2 ↓

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)-2-pyridyl]pyridine-3-sulfonamide N-[3-(3-cyanopropoxy)-2-pyridyl]…

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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) 0.47 3.56 -56.07 0 7 -1 107 317.35 7 ↓
Mid Mid (pH 6-8) 0.65 4.02 -27.02 1 7 0 108 318.358 6 ↓
Lo Low (pH 4.5-6) 0.65 4.47 -49.39 2 7 1 109 319.366 6 ↓

Analogs

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Popular Name: 6-chloro-N-[3-(3-cyanopropoxy)-2-pyridyl]pyridine-3-sulfonamide 6-chloro-N-[3-(3-cyanopropoxy)-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) 1.49 3.97 -50.82 0 7 -1 107 351.795 7 ↓
Mid Mid (pH 6-8) 1.67 4.43 -25.09 1 7 0 108 352.803 6 ↓

Analogs

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Popular Name: N-(5-bromo-2-pyridyl)pyridine-3-sulfonamide N-(5-bromo-2-pyridyl)pyridine-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) 1.71 2.56 -42.56 0 5 -1 74 313.156 3 ↓
Lo Low (pH 4.5-6) 1.89 3.05 -13.02 1 5 0 75 314.164 2 ↓
Lo Low (pH 4.5-6) 1.71 3.02 -46.97 1 5 0 75 314.164 3 ↓

Analogs

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Popular Name: N-(5-cyano-2-pyridyl)-6-nitro-pyridine-3-sulfonamide N-(5-cyano-2-pyridyl)-6-nitro-py…

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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) 0.79 4.06 -33.66 0 9 -1 144 304.267 4 ↓

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)-6-nitro-pyridine-3-sulfonamide N-(6-bromo-2-pyridyl)-6-nitro-py…

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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) 2.18 4.16 -38.37 0 8 -1 120 358.153 4 ↓

Parameters Provided:

ring.id = 6333
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 = 6333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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