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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)cyclooctanamine (1S,2R)-2-(benzenesulfonyl)cyclo…

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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) 2.08 3.93 -47.32 3 3 1 62 268.402 2 ↓
Hi High (pH 8-9.5) 2.08 3.7 -8.13 2 3 0 60 267.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cyclooctanamine (1S,2S)-2-(benzenesulfonyl)cyclo…

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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) 2.08 4.32 -41.34 3 3 1 62 268.402 2 ↓
Hi High (pH 8-9.5) 2.08 3.9 -9.53 2 3 0 60 267.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cyclooctanamine (1R,2R)-2-(benzenesulfonyl)cyclo…

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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) 2.08 4.17 -40.85 3 3 1 62 268.402 2 ↓
Hi High (pH 8-9.5) 2.08 3.76 -9.57 2 3 0 60 267.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cyclooctanamine (1R,2S)-2-(benzenesulfonyl)cyclo…

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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) 2.08 3.92 -47.27 3 3 1 62 268.402 2 ↓
Hi High (pH 8-9.5) 2.08 3.67 -8.71 2 3 0 60 267.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-methyl-cyclooctanamine (1R,2S)-2-(benzenesulfonyl)-N-me…

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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) 2.99 5.77 -41.95 2 3 1 51 282.429 3 ↓
Hi High (pH 8-9.5) 2.99 4.69 -8.36 1 3 0 46 281.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-methyl-cyclooctanamine (1S,2S)-2-(benzenesulfonyl)-N-me…

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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) 2.99 5.97 -36.43 2 3 1 51 282.429 3 ↓
Hi High (pH 8-9.5) 2.99 5.1 -9.54 1 3 0 46 281.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-methyl-cyclooctanamine (1R,2R)-2-(benzenesulfonyl)-N-me…

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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) 2.99 6.04 -36.76 2 3 1 51 282.429 3 ↓
Hi High (pH 8-9.5) 2.99 4.84 -9.5 1 3 0 46 281.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-methyl-cyclooctanamine (1S,2R)-2-(benzenesulfonyl)-N-me…

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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) 2.99 5.77 -39.62 2 3 1 51 282.429 3 ↓
Hi High (pH 8-9.5) 2.99 4.94 -9.9 1 3 0 46 281.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-ethyl-cyclooctanamine (1R,2S)-2-(benzenesulfonyl)-N-et…

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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) 3.37 6.6 -40.46 2 3 1 51 296.456 4 ↓
Hi High (pH 8-9.5) 3.37 5.61 -8.28 1 3 0 46 295.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-ethyl-cyclooctanamine (1S,2S)-2-(benzenesulfonyl)-N-et…

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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) 3.37 6.8 -35.45 2 3 1 51 296.456 4 ↓
Hi High (pH 8-9.5) 3.37 5.99 -9.49 1 3 0 46 295.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-ethyl-cyclooctanamine (1R,2R)-2-(benzenesulfonyl)-N-et…

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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) 3.37 6.87 -35.7 2 3 1 51 296.456 4 ↓
Hi High (pH 8-9.5) 3.37 5.73 -9.49 1 3 0 46 295.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-ethyl-cyclooctanamine (1S,2R)-2-(benzenesulfonyl)-N-et…

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) 3.37 6.6 -38.46 2 3 1 51 296.456 4 ↓
Hi High (pH 8-9.5) 3.37 5.82 -9.85 1 3 0 46 295.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-propyl-cyclooctanamine (1R,2S)-2-(benzenesulfonyl)-N-pr…

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) 3.87 7.36 -41.01 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.87 6.36 -8.16 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-propyl-cyclooctanamine (1S,2S)-2-(benzenesulfonyl)-N-pr…

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) 3.87 7.56 -35.68 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.87 6.74 -9.46 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-propyl-cyclooctanamine (1R,2R)-2-(benzenesulfonyl)-N-pr…

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) 3.87 7.63 -35.96 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.87 6.5 -9.44 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-propyl-cyclooctanamine (1S,2R)-2-(benzenesulfonyl)-N-pr…

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) 3.87 7.36 -38.89 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.87 6.58 -9.84 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)cyclooctanol (1S,2R)-2-(benzenesulfonyl)cyclo…

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) 2.57 3.09 -11 1 3 0 54 268.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cyclooctanol (1S,2S)-2-(benzenesulfonyl)cyclo…

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) 2.57 4.23 -12.5 1 3 0 54 268.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cyclooctanol (1R,2R)-2-(benzenesulfonyl)cyclo…

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) 2.57 4.1 -12.46 1 3 0 54 268.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cyclooctanol (1R,2S)-2-(benzenesulfonyl)cyclo…

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) 2.57 3.57 -11.39 1 3 0 54 268.378 2 ↓

Parameters Provided:

ring.id = 7711
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 = 7711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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