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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: (8S,9R)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9R)-8-[(1-isopropylpyrazol-3…

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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) 1.81 8.42 -46.83 3 3 1 45 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9R)-8-[(1-isopropylpyrazol-3…

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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) 1.81 8.57 -49.28 3 3 1 45 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8S,9S)-8-[(1-isopropylpyrazol-3…

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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) 1.81 8.29 -49.04 3 3 1 45 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-amine (8R,9S)-8-[(1-isopropylpyrazol-3…

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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) 1.81 8.75 -44.15 3 3 1 45 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8S,9R)-8-[(1-isopropylpyrazol-3…

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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) 3.51 7.95 -7.26 1 3 0 38 284.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9R)-8-[(1-isopropylpyrazol-3…

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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) 3.51 8.14 -6.69 1 3 0 38 284.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8S,9S)-8-[(1-isopropylpyrazol-3…

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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) 3.51 7.81 -8.33 1 3 0 38 284.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-8-[(1-isopropylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol (8R,9S)-8-[(1-isopropylpyrazol-3…

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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) 3.51 8.29 -7.28 1 3 0 38 284.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8S,9R)-9-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8S,9R)-9-chloro-6,7,8,9-tet…

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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) 4.88 11.35 -5.62 0 2 0 18 302.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8R,9R)-9-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8R,9R)-9-chloro-6,7,8,9-tet…

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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) 4.88 11.37 -5.41 0 2 0 18 302.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8S,9S)-9-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8S,9S)-9-chloro-6,7,8,9-tet…

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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) 4.88 11.02 -6.97 0 2 0 18 302.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8R,9S)-9-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8R,9S)-9-chloro-6,7,8,9-tet…

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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) 4.88 11 -5.55 0 2 0 18 302.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8S,9R)-9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8S,9R)-9-bromo-6,7,8,9-tetr…

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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) 5.01 11.41 -5.42 0 2 0 18 347.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8R,9R)-9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8R,9R)-9-bromo-6,7,8,9-tetr…

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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) 5.01 11.4 -5.35 0 2 0 18 347.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8S,9S)-9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8S,9S)-9-bromo-6,7,8,9-tetr…

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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) 5.01 11.08 -6.71 0 2 0 18 347.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(8R,9S)-9-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]methyl]-1-isopropyl-pyrazole 3-[[(8R,9S)-9-bromo-6,7,8,9-tetr…

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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) 5.01 11.07 -5.49 0 2 0 18 347.3 3 ↓

Parameters Provided:

ring.id = 513123
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 = 513123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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