UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cycloheptanecarboxylic 1-[(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) 0.64 4.02 -40.38 1 6 -1 99 376.252 4 ↓

Analogs

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Popular Name: 1-[(5-bromo-3-pyridyl)sulfonylamino]cycloheptanecarbothioamide 1-[(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) 2.29 2.52 -10.72 3 5 0 85 392.344 4 ↓
Hi High (pH 8-9.5) 2.29 2.93 -34.51 2 5 -1 87 391.336 4 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-6-(methylamino)pyridine-3-sulfonamide N-cycloheptyl-N-methyl-6-(methyl…

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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) 2.79 4.08 -9.34 1 5 0 62 297.424 4 ↓

Analogs

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Popular Name: N-cycloheptyl-6-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-cycloheptyl-6-(ethylamino)-N-m…

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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) 3.17 4.88 -8.82 1 5 0 62 311.451 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide N-cycloheptyl-N-methyl-2-(methyl…

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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) 2.57 5.25 -9.34 1 5 0 62 297.424 4 ↓

Analogs

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Popular Name: N-cycloheptyl-2-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-cycloheptyl-2-(ethylamino)-N-m…

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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) 2.95 5.62 -11.68 1 5 0 62 311.451 5 ↓

Analogs

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Popular Name: 5-bromo-N-cycloheptyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-cycloheptyl-N-methyl-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) 3.53 5.84 -7.58 1 5 0 62 376.32 4 ↓

Analogs

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Popular Name: 6-amino-N-cycloheptyl-N-methyl-pyridine-3-sulfonamide 6-amino-N-cycloheptyl-N-methyl-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) 2.42 3.27 -9.44 2 5 0 76 283.397 3 ↓

Analogs

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Popular Name: 2-amino-N-cycloheptyl-N-methyl-pyridine-3-sulfonamide 2-amino-N-cycloheptyl-N-methyl-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) 2.20 3.67 -9.13 2 5 0 76 283.397 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-cycloheptyl-N-methyl-pyridine-3-sulfonamide 2-amino-5-bromo-N-cycloheptyl-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) 3.15 4.26 -7.59 2 5 0 76 362.293 3 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-6-nitro-pyridine-3-sulfonamide N-cycloheptyl-N-methyl-6-nitro-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) 2.89 6.24 -11.27 0 7 0 96 313.379 4 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-aminocycloheptyl]-6-nitro-pyridine-3-sulfonamide N-[(1R,2S)-2-aminocycloheptyl]-6…

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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) 1.00 1.88 -60.71 4 8 1 133 315.375 4 ↓
Hi High (pH 8-9.5) 1.00 1.81 -38.23 3 8 0 135 314.367 4 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-aminocycloheptyl]-6-nitro-pyridine-3-sulfonamide N-[(1S,2S)-2-aminocycloheptyl]-6…

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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) 1.00 2.05 -63.39 4 8 1 133 315.375 4 ↓
Hi High (pH 8-9.5) 1.00 1.88 -35.39 3 8 0 135 314.367 4 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-aminocycloheptyl]-6-nitro-pyridine-3-sulfonamide N-[(1R,2R)-2-aminocycloheptyl]-6…

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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) 1.00 1.99 -60.84 4 8 1 133 315.375 4 ↓
Hi High (pH 8-9.5) 1.00 1.89 -36.45 3 8 0 135 314.367 4 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-aminocycloheptyl]-6-nitro-pyridine-3-sulfonamide N-[(1S,2R)-2-aminocycloheptyl]-6…

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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) 1.00 1.98 -63.14 4 8 1 133 315.375 4 ↓
Hi High (pH 8-9.5) 1.00 1.81 -36.44 3 8 0 135 314.367 4 ↓

Analogs

44243694
44243694
44243696
44243696
44243700
44243700

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Popular Name: N-(3-aminopropyl)-N-cycloheptyl-pyridine-3-sulfonamide N-(3-aminopropyl)-N-cycloheptyl-…

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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) 1.67 3.28 -51.25 3 5 1 78 312.459 6 ↓

Parameters Provided:

ring.id = 6144
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 = 6144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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