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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)indan-1-amine (1S,2R)-2-(benzenesulfonyl)indan…

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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) -0.10 4.88 -42.61 3 3 1 62 274.365 2 ↓
Mid Mid (pH 6-8) -0.10 4.55 -10.48 2 3 0 60 273.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)indan-1-amine (1S,2S)-2-(benzenesulfonyl)indan…

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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) -0.10 4.16 -55.59 3 3 1 62 274.365 2 ↓
Mid Mid (pH 6-8) -0.10 3.86 -11.78 2 3 0 60 273.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)indan-1-amine (1R,2R)-2-(benzenesulfonyl)indan…

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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) -0.10 4.3 -50.26 3 3 1 62 274.365 2 ↓
Mid Mid (pH 6-8) -0.10 3.99 -11.16 2 3 0 60 273.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)indan-1-amine (1R,2S)-2-(benzenesulfonyl)indan…

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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) -0.10 4.88 -42.6 3 3 1 62 274.365 2 ↓
Mid Mid (pH 6-8) -0.10 4.59 -10.53 2 3 0 60 273.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-ethyl-indan-1-amine (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) 2.53 7.49 -36.11 2 3 1 51 302.419 4 ↓
Mid Mid (pH 6-8) 2.53 6.11 -10.69 1 3 0 46 301.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-ethyl-indan-1-amine (1S,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) 2.53 6.63 -42.37 2 3 1 51 302.419 4 ↓
Mid Mid (pH 6-8) 2.53 5.6 -10.56 1 3 0 46 301.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-ethyl-indan-1-amine (1R,2R)-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) 2.53 6.66 -47.33 2 3 1 51 302.419 4 ↓
Mid Mid (pH 6-8) 2.53 5.52 -11.88 1 3 0 46 301.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-ethyl-indan-1-amine (1S,2R)-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) 2.53 7.52 -36.15 2 3 1 51 302.419 4 ↓
Mid Mid (pH 6-8) 2.53 6.77 -10.2 1 3 0 46 301.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-methyl-indan-1-amine (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) 2.15 6.65 -37.57 2 3 1 51 288.392 3 ↓
Mid Mid (pH 6-8) 2.15 5.17 -10.72 1 3 0 46 287.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.15 5.8 -44.7 2 3 1 51 288.392 3 ↓
Mid Mid (pH 6-8) 2.15 4.67 -10.76 1 3 0 46 287.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.15 5.81 -49.58 2 3 1 51 288.392 3 ↓
Mid Mid (pH 6-8) 2.15 4.58 -12.13 1 3 0 46 287.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.15 6.67 -37.62 2 3 1 51 288.392 3 ↓
Mid Mid (pH 6-8) 2.15 5.89 -10.36 1 3 0 46 287.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)indan-1-ol (1S,2R)-2-(benzenesulfonyl)indan…

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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) 1.60 4.82 -13.15 1 3 0 54 274.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)indan-1-ol (1S,2S)-2-(benzenesulfonyl)indan…

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) 1.60 3.57 -11.97 1 3 0 54 274.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)indan-1-ol (1R,2R)-2-(benzenesulfonyl)indan…

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) 1.60 3.71 -12.25 1 3 0 54 274.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)indan-1-ol (1R,2S)-2-(benzenesulfonyl)indan…

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) 1.60 4.72 -13.28 1 3 0 54 274.341 2 ↓

Parameters Provided:

ring.id = 7693
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 = 7693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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