UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-N-cyclopentyl-3-(hydroxymethyl)piperidine-1-sulfonamide (3S)-N-cyclopentyl-3-(hydroxymet…

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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 -0.08 -8.56 2 5 0 70 262.375 4 ↓

Analogs

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Popular Name: (3R)-N-cyclopentyl-3-(hydroxymethyl)piperidine-1-sulfonamide (3R)-N-cyclopentyl-3-(hydroxymet…

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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 0.07 -10.48 2 5 0 70 262.375 4 ↓

Analogs

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Popular Name: 4-cyano-N-cyclopentyl-piperidine-1-sulfonamide 4-cyano-N-cyclopentyl-piperidine…

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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) 1.44 3.04 -14.22 1 5 0 73 257.359 3 ↓
Hi High (pH 8-9.5) 1.44 2.84 -42.83 0 5 -1 75 256.351 3 ↓

Analogs

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Popular Name: (2R)-N-(3-aminopropyl)-N-cyclopentyl-2-methyl-piperidine-1-sulfonamide (2R)-N-(3-aminopropyl)-N-cyclope…

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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) 1.43 4.09 -47.71 3 5 1 68 304.48 6 ↓

Analogs

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Popular Name: (2S)-N-(3-aminopropyl)-N-cyclopentyl-2-methyl-piperidine-1-sulfonamide (2S)-N-(3-aminopropyl)-N-cyclope…

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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) 1.43 4.34 -47.73 3 5 1 68 304.48 6 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclopentyl-4-methyl-piperidine-1-sulfonamide N-(3-aminopropyl)-N-cyclopentyl-…

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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) 1.35 3.44 -57.87 3 5 1 68 304.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminopropyl)-N-cyclopentyl-piperidine-1-sulfonamide N-(3-aminopropyl)-N-cyclopentyl-…

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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) 1.10 2.85 -57.49 3 5 1 68 290.453 6 ↓

Analogs

37418496
37418496
20255163
20255163
20255162
20255162
20255179
20255179
20255177
20255177

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Popular Name: (2R)-1-[allyl(cyclopentyl)sulfamoyl]piperidine-2-carboxylic (2R)-1-[allyl(cyclopentyl)sulfam…

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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) 0.45 6.98 -56.59 0 6 -1 81 315.415 6 ↓

Analogs

20257721
20257721
20257722
20257722
37418458
37418458

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Popular Name: 1-[allyl(cyclopentyl)sulfamoyl]piperidine-4-carboxylic 1-[allyl(cyclopentyl)sulfamoyl]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) 1.79 6.04 -45.22 0 6 -1 81 315.415 6 ↓

Analogs

34677993
34677993
34677994
34677994
6751047
6751047
20255155
20255155

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Popular Name: (3S)-1-[allyl(cyclopentyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[allyl(cyclopentyl)sulfam…

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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) 1.79 6.05 -49.07 0 6 -1 81 315.415 6 ↓

Analogs

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Popular Name: (2R)-1-[cyclopentyl(2-hydroxyethyl)sulfamoyl]piperidine-2-carboxylic (2R)-1-[cyclopentyl(2-hydroxyeth…

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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) -0.83 3.43 -51.87 1 7 -1 101 319.403 6 ↓

Analogs

37418458
37418458
20257721
20257721
20257722
20257722

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopentyl(2-hydroxyethyl)sulfamoyl]piperidine-4-carboxylic 1-[cyclopentyl(2-hydroxyethyl)su…

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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) 0.51 3.3 -48.24 1 7 -1 101 319.403 6 ↓

Analogs

34677993
34677993
34677994
34677994
6751047
6751047

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[cyclopentyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[cyclopentyl(2-hydroxyeth…

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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) 0.51 3.3 -51.64 1 7 -1 101 319.403 6 ↓

Parameters Provided:

ring.id = 119581
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 = 119581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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