UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45648078
45648078
45648080
45648080

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-5-ethyl-thiophene-2-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) 3.55 5.37 -8.45 1 3 0 46 285.434 5 ↓

Analogs

45648078
45648078
45648080
45648080

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-5-ethyl-thiophene-2-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) 3.55 5.36 -8.65 1 3 0 46 285.434 5 ↓

Analogs

45629817
45629817
45629819
45629819
45648066
45648066
45648068
45648068
45648078
45648078

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-5-methyl-thiophene-2-sulfonamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

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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) 2.98 4.58 -8.85 1 3 0 46 271.407 4 ↓

Analogs

45629817
45629817
45629819
45629819
45648066
45648066
45648068
45648068
45648078
45648078

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-5-methyl-thiophene-2-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) 2.98 4.57 -9.01 1 3 0 46 271.407 4 ↓

Analogs

45628908
45628908
45628909
45628909

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]thiophene-2-sulfonamide N-[[(1R)-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) 2.75 3.75 -8.88 1 3 0 46 257.38 4 ↓

Analogs

45628908
45628908
45628909
45628909

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]thiophene-2-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) 2.75 3.74 -9.14 1 3 0 46 257.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(1R)-cyclohex-3-en-1-yl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[(1R)-cyclohex-3-en-…

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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) 3.56 4.37 -7.2 1 3 0 46 291.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[[(1S)-cyclohex-3-en-1-yl]methyl]thiophene-2-sulfonamide 5-chloro-N-[[(1S)-cyclohex-3-en-…

Find On: PubMed — Wikipedia — Google

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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) 3.56 4.37 -7.35 1 3 0 46 291.825 4 ↓

Parameters Provided:

ring.id = 547759
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 = 547759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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