UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45647904
45647904
45647906
45647906

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidine-1-sulfonamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

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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) 2.19 3.98 -8.27 1 4 0 49 258.387 4 ↓

Analogs

45647904
45647904
45647906
45647906

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Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-1-sulfonamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

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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) 2.19 3.99 -8.52 1 4 0 49 258.387 4 ↓

Analogs

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Popular Name: (2R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-piperidine-1-sulfonamide (2R)-N-[[(1R)-cyclohex-3-en-1-yl…

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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) 2.52 4.85 -7.22 1 4 0 49 272.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-piperidine-1-sulfonamide (2S)-N-[[(1R)-cyclohex-3-en-1-yl…

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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) 2.52 4.85 -7.84 1 4 0 49 272.414 4 ↓

Analogs

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Popular Name: (3R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methyl-piperidine-1-sulfonamide (3R)-N-[[(1R)-cyclohex-3-en-1-yl…

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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) 2.43 4.45 -7.44 1 4 0 49 272.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methyl-piperidine-1-sulfonamide (3S)-N-[[(1R)-cyclohex-3-en-1-yl…

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Activity (Go SEA)

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) 2.43 4.56 -8.14 1 4 0 49 272.414 4 ↓

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-methyl-piperidine-1-sulfonamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

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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) 2.43 4.57 -8.28 1 4 0 49 272.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-methyl-piperidine-1-sulfonamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.43 4.57 -8.48 1 4 0 49 272.414 4 ↓

Parameters Provided:

ring.id = 547764
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 = 547764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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