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Analogs

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Popular Name: (8R,9S)-8-(2-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-(2-methylphenoxy)-6,7,…

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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) 2.28 8.32 -41.53 3 2 1 37 268.38 2 ↓
Hi High (pH 8-9.5) 2.28 8.3 -3.59 2 2 0 35 267.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-(2-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9S)-8-(2-methylphenoxy)-6,7,…

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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) 2.28 8.22 -44.8 3 2 1 37 268.38 2 ↓
Hi High (pH 8-9.5) 2.28 7.99 -3.99 2 2 0 35 267.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-(2-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9R)-8-(2-methylphenoxy)-6,7,…

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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) 2.28 8.23 -44.76 3 2 1 37 268.38 2 ↓
Hi High (pH 8-9.5) 2.28 7.85 -4.23 2 2 0 35 267.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-8-(2-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9R)-8-(2-methylphenoxy)-6,7,…

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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) 2.28 8.32 -41.58 3 2 1 37 268.38 2 ↓
Hi High (pH 8-9.5) 2.28 8.01 -5.03 2 2 0 35 267.372 2 ↓

Analogs

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Popular Name: (8R,9S)-8-(4-ethylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-(4-ethylphenoxy)-6,7,8…

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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) 2.79 9.04 -40.94 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 2.79 9.01 -3.37 2 2 0 35 281.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-(4-ethylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9S)-8-(4-ethylphenoxy)-6,7,8…

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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) 2.79 8.94 -43.82 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 2.79 8.71 -3.75 2 2 0 35 281.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-(4-ethylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9R)-8-(4-ethylphenoxy)-6,7,8…

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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) 2.79 8.94 -43.87 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 2.79 8.56 -4.15 2 2 0 35 281.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-8-(4-ethylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9R)-8-(4-ethylphenoxy)-6,7,8…

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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) 2.79 9.04 -40.89 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 2.79 8.72 -4.9 2 2 0 35 281.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R,6S)-6-(2,3-difluorophenoxy)-…

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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) 2.11 7.73 -43.32 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.11 7.72 -6.14 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R,6R)-6-(2,3-difluorophenoxy)-…

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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) 2.11 7.55 -42.73 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.11 7.27 -7.68 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S,6S)-6-(2,3-difluorophenoxy)-…

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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) 2.11 7.55 -42.71 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.11 7.39 -6.59 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S,6R)-6-(2,3-difluorophenoxy)-…

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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) 2.11 7.71 -43.43 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.11 7.71 -6.13 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5R,6S)-6-(2,3-difluorophenoxy)-…

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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) 3.81 7.24 -8.23 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5R,6R)-6-(2,3-difluorophenoxy)-…

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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) 3.81 7.81 -9.61 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5S,6S)-6-(2,3-difluorophenoxy)-…

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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) 3.81 7.81 -9.63 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-6-(2,3-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5S,6R)-6-(2,3-difluorophenoxy)-…

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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) 3.81 7.24 -8.25 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R,6S)-6-(3,5-difluorophenoxy)-…

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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) 2.13 7.72 -43.85 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.13 7.71 -2.45 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R,6R)-6-(3,5-difluorophenoxy)-…

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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) 2.13 7.55 -45.44 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.13 7.27 -3.09 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S,6S)-6-(3,5-difluorophenoxy)-…

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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) 2.13 7.55 -45.45 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.13 7.39 -2.94 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S,6R)-6-(3,5-difluorophenoxy)-…

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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) 2.13 7.72 -43.87 3 2 1 37 290.333 2 ↓
Hi High (pH 8-9.5) 2.13 7.71 -2.47 2 2 0 35 289.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5R,6S)-6-(3,5-difluorophenoxy)-…

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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) 3.83 7.24 -3.51 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5R,6R)-6-(3,5-difluorophenoxy)-…

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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) 3.83 7.81 -4.64 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5S,6S)-6-(3,5-difluorophenoxy)-…

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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) 3.83 7.81 -4.63 1 2 0 29 290.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-6-(3,5-difluorophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (5S,6R)-6-(3,5-difluorophenoxy)-…

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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) 3.83 7.24 -3.51 1 2 0 29 290.309 2 ↓

Parameters Provided:

ring.id = 59354
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 = 59354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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