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Analogs

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

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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) 0.42 5.28 -43.21 3 3 1 62 288.392 2 ↓
Mid Mid (pH 6-8) 0.42 4.99 -9.83 2 3 0 60 287.384 2 ↓

Analogs

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

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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) 0.42 5.12 -46.02 3 3 1 62 288.392 2 ↓
Mid Mid (pH 6-8) 0.42 4.8 -10.02 2 3 0 60 287.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.42 5.06 -46.04 3 3 1 62 288.392 2 ↓
Mid Mid (pH 6-8) 0.42 4.57 -11.27 2 3 0 60 287.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.42 5.22 -43.23 3 3 1 62 288.392 2 ↓
Mid Mid (pH 6-8) 0.42 4.87 -10.9 2 3 0 60 287.384 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-methyl-tetralin-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) 2.67 6.81 -38.08 2 3 1 51 302.419 3 ↓
Mid Mid (pH 6-8) 2.67 5.87 -10.14 1 3 0 46 301.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-methyl-tetralin-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) 2.67 6.61 -40.74 2 3 1 51 302.419 3 ↓
Mid Mid (pH 6-8) 2.67 5.48 -9.27 1 3 0 46 301.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-methyl-tetralin-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) 2.67 6.57 -40.78 2 3 1 51 302.419 3 ↓
Mid Mid (pH 6-8) 2.67 5.12 -10.73 1 3 0 46 301.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-methyl-tetralin-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) 2.67 6.87 -38.05 2 3 1 51 302.419 3 ↓
Mid Mid (pH 6-8) 2.67 6.05 -10.51 1 3 0 46 301.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.12 5.19 -12.52 1 3 0 54 288.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.12 4.49 -12.67 1 3 0 54 288.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.12 4.4 -12.81 1 3 0 54 288.368 2 ↓

Parameters Provided:

ring.id = 7722
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 = 7722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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