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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)cycloheptanamine (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) 1.58 3.56 -43.82 3 3 1 62 254.375 2 ↓
Hi High (pH 8-9.5) 1.58 3.58 -8.28 2 3 0 60 253.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cycloheptanamine (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) 1.58 3.73 -42.04 3 3 1 62 254.375 2 ↓
Hi High (pH 8-9.5) 1.58 3.35 -9.21 2 3 0 60 253.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cycloheptanamine (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) 1.58 3.66 -42.01 3 3 1 62 254.375 2 ↓
Hi High (pH 8-9.5) 1.58 3.37 -9.79 2 3 0 60 253.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cycloheptanamine (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) 1.58 3.55 -43.9 3 3 1 62 254.375 2 ↓
Hi High (pH 8-9.5) 1.58 3.28 -10 2 3 0 60 253.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-methyl-cycloheptanamine (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) 2.48 5.31 -38.89 2 3 1 51 268.402 3 ↓
Hi High (pH 8-9.5) 2.48 3.79 -9.19 1 3 0 46 267.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-methyl-cycloheptanamine (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) 2.48 5.4 -37.47 2 3 1 51 268.402 3 ↓
Hi High (pH 8-9.5) 2.48 4.77 -9.59 1 3 0 46 267.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-methyl-cycloheptanamine (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) 2.48 5.35 -37.39 2 3 1 51 268.402 3 ↓
Hi High (pH 8-9.5) 2.48 3.99 -9.4 1 3 0 46 267.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-methyl-cycloheptanamine (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) 2.48 5.29 -39.02 2 3 1 51 268.402 3 ↓
Hi High (pH 8-9.5) 2.48 4.67 -9.78 1 3 0 46 267.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-ethyl-cycloheptanamine (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) 2.86 6.14 -37.89 2 3 1 51 282.429 4 ↓
Hi High (pH 8-9.5) 2.86 4.71 -9.17 1 3 0 46 281.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-ethyl-cycloheptanamine (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) 2.86 6.23 -36.46 2 3 1 51 282.429 4 ↓
Hi High (pH 8-9.5) 2.86 5.64 -9.54 1 3 0 46 281.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-ethyl-cycloheptanamine (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) 2.86 6.17 -36.39 2 3 1 51 282.429 4 ↓
Hi High (pH 8-9.5) 2.86 4.89 -9.41 1 3 0 46 281.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-ethyl-cycloheptanamine (1S,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) 2.86 6.13 -37.97 2 3 1 51 282.429 4 ↓
Hi High (pH 8-9.5) 2.86 5.54 -9.71 1 3 0 46 281.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.36 6.9 -38.26 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 3.36 5.47 -9.14 1 3 0 46 295.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-propyl-cycloheptanamine (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) 3.36 6.99 -36.75 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 3.36 6.41 -9.51 1 3 0 46 295.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.36 6.94 -36.7 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 3.36 5.65 -9.35 1 3 0 46 295.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.36 6.88 -38.34 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 3.36 6.31 -9.61 1 3 0 46 295.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)cycloheptanol (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) 2.07 3.53 -11.85 1 3 0 54 254.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cycloheptanol (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) 2.07 3.76 -12.13 1 3 0 54 254.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cycloheptanol (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) 2.07 3.57 -12.31 1 3 0 54 254.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cycloheptanol (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) 2.07 3.45 -12.02 1 3 0 54 254.351 2 ↓

Parameters Provided:

ring.id = 7704
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 = 7704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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