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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: (8R,9S)-8-[(2R)-2-ethyl-1-piperidyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-[(2R)-2-ethyl-1-piperi…

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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) 2.00 9.08 -117.84 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 2.00 6.87 -1.64 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 2.00 8.99 -32.77 3 2 1 30 273.444 2 ↓

Analogs

42763358
42763358
42763362
42763362

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-[(2S)-2-ethyl-1-piperidyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-[(2S)-2-ethyl-1-piperi…

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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) 2.00 9.06 -115.78 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 2.00 6.96 -1.5 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 2.00 9.05 -31.66 3 2 1 30 273.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-(4-ethyl-4-methyl-1-pi…

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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 9.36 -122.79 4 2 2 32 288.479 2 ↓
Hi High (pH 8-9.5) 2.12 7.21 -1.6 2 2 0 29 286.463 2 ↓
Mid Mid (pH 6-8) 2.12 9.43 -35.36 3 2 1 30 287.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9S)-8-(4-ethyl-4-methyl-1-pi…

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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 9.32 -127.77 4 2 2 32 288.479 2 ↓
Hi High (pH 8-9.5) 2.12 7.32 -1.55 2 2 0 29 286.463 2 ↓
Mid Mid (pH 6-8) 2.12 9.07 -32.37 3 2 1 30 287.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9R)-8-(4-ethyl-4-methyl-1-pi…

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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 9.32 -127.76 4 2 2 32 288.479 2 ↓
Hi High (pH 8-9.5) 2.12 7.06 -1.13 2 2 0 29 286.463 2 ↓
Mid Mid (pH 6-8) 2.12 9.04 -31.78 3 2 1 30 287.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9R)-8-(4-ethyl-4-methyl-1-pi…

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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 9.36 -122.81 4 2 2 32 288.479 2 ↓
Hi High (pH 8-9.5) 2.12 7.25 -1.47 2 2 0 29 286.463 2 ↓
Mid Mid (pH 6-8) 2.12 9.43 -34.84 3 2 1 30 287.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9S)-8-(4-ethyl-4-methyl-1-pi…

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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) 3.82 8.89 -33.88 2 2 1 25 288.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8S,9S)-8-(4-ethyl-4-methyl-1-pi…

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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) 3.82 8.78 -31.78 2 2 1 25 288.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9R)-8-(4-ethyl-4-methyl-1-pi…

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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) 3.82 8.78 -31.78 2 2 1 25 288.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-8-(4-ethyl-4-methyl-1-piperidyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8S,9R)-8-(4-ethyl-4-methyl-1-pi…

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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) 3.82 8.89 -33.91 2 2 1 25 288.455 2 ↓

Parameters Provided:

ring.id = 139289
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 = 139289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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