UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20467542
20467542
6858668
6858668
6498150
6498150

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Popular Name: 5-bromo-N-(3-pyridyl)pyridine-3-sulfonamide 5-bromo-N-(3-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) 1.52 1.47 -39.53 0 5 -1 74 313.156 3 ↓
Mid Mid (pH 6-8) 1.52 1.93 -25.98 1 5 0 75 314.164 3 ↓
Lo Low (pH 4.5-6) 1.52 1.45 -9.73 1 5 0 72 314.164 3 ↓

Analogs

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Popular Name: 5-(3-pyridylsulfonylamino)pyridine-3-carboxylic 5-(3-pyridylsulfonylamino)pyridi…

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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) 0.11 1.42 -101.62 0 7 -2 114 277.261 4 ↓
Mid Mid (pH 6-8) 0.11 1.88 -52.06 1 7 -1 115 278.269 4 ↓
Lo Low (pH 4.5-6) 0.11 2.33 -62.43 2 7 0 117 279.277 4 ↓

Analogs

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Popular Name: 5-[(2-chloro-3-pyridyl)sulfonylamino]pyridine-3-carboxylic 5-[(2-chloro-3-pyridyl)sulfonyla…

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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) 0.92 1.91 -104.19 0 7 -2 114 311.706 4 ↓
Mid Mid (pH 6-8) 0.92 2.37 -54.1 1 7 -1 115 312.714 4 ↓

Analogs

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Popular Name: 5-[(5-bromo-3-pyridyl)sulfonylamino]pyridine-3-carboxylic 5-[(5-bromo-3-pyridyl)sulfonylam…

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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) 1.07 2.01 -96.26 0 7 -2 114 356.157 4 ↓
Mid Mid (pH 6-8) 1.07 2.47 -48.38 1 7 -1 115 357.165 4 ↓

Analogs

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Popular Name: 5-[(5-fluoro-3-pyridyl)sulfonylamino]pyridine-3-carboxylic 5-[(5-fluoro-3-pyridyl)sulfonyla…

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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) 0.42 1.46 -96.13 0 7 -2 114 295.251 4 ↓
Mid Mid (pH 6-8) 0.42 1.92 -48.52 1 7 -1 115 296.259 4 ↓

Analogs

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Popular Name: 5-[(6-chloro-3-pyridyl)sulfonylamino]pyridine-3-carboxylic 5-[(6-chloro-3-pyridyl)sulfonyla…

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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) 1.13 1.84 -95.95 0 7 -2 114 311.706 4 ↓
Mid Mid (pH 6-8) 1.13 2.3 -48.81 1 7 -1 115 312.714 4 ↓

Analogs

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Popular Name: 5-[(5-bromo-2-chloro-3-pyridyl)sulfonylamino]pyridine-3-carboxylic 5-[(5-bromo-2-chloro-3-pyridyl)s…

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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) 1.87 2.49 -97.27 0 7 -2 114 390.602 4 ↓
Mid Mid (pH 6-8) 1.87 2.95 -49.06 1 7 -1 115 391.61 4 ↓

Analogs

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Popular Name: N-[6-(diethylamino)-3-pyridyl]-5-fluoro-pyridine-3-sulfonamide N-[6-(diethylamino)-3-pyridyl]-5…

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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 4.78 -21.08 1 6 0 79 324.381 6 ↓

Analogs

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Popular Name: 2,6-dichloro-N-(2-methoxy-3-pyridyl)pyridine-3-sulfonamide 2,6-dichloro-N-(2-methoxy-3-pyri…

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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) 2.56 0.35 -40.05 0 6 -1 83 333.176 4 ↓

Analogs

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Popular Name: N-(6-amino-3-pyridyl)-6-nitro-pyridine-3-sulfonamide N-(6-amino-3-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) 0.69 1.79 -25.62 3 9 0 147 295.28 4 ↓
Hi High (pH 8-9.5) 0.69 1.31 -38.23 2 9 -1 146 294.272 4 ↓

Analogs

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Popular Name: 6-amino-N-(2-chloro-3-pyridyl)pyridine-3-sulfonamide 6-amino-N-(2-chloro-3-pyridyl)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) 1.19 0.62 -41.16 3 6 0 101 284.728 3 ↓
Hi High (pH 8-9.5) 1.19 0.13 -41.1 2 6 -1 100 283.72 3 ↓

Analogs

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Popular Name: 6-amino-N-(2-isopropoxy-3-pyridyl)pyridine-3-sulfonamide 6-amino-N-(2-isopropoxy-3-pyridy…

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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) 1.30 0.03 -46.64 2 7 -1 109 307.355 5 ↓
Mid Mid (pH 6-8) 1.30 0.51 -44.73 3 7 0 111 308.363 5 ↓
Lo Low (pH 4.5-6) 1.30 0.04 -11.33 3 7 0 107 308.363 5 ↓

Parameters Provided:

ring.id = 6459
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 = 6459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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