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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (9S)-9-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9S)-9-(1-methylimidazol-2-yl)-5…

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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) 1.75 5.96 -28.44 2 3 1 39 243.33 1 ↓
Mid Mid (pH 6-8) 1.75 5.44 -7.45 1 3 0 38 242.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9R)-9-(1-methylimidazol-2-yl)-5…

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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) 1.75 5.98 -29.08 2 3 1 39 243.33 1 ↓
Mid Mid (pH 6-8) 1.75 5.44 -7.44 1 3 0 38 242.322 1 ↓

Analogs

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Popular Name: (9S)-9-(1-propylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9S)-9-(1-propylimidazol-2-yl)-5…

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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) 2.63 8.38 -27.26 2 3 1 39 271.384 3 ↓
Mid Mid (pH 6-8) 2.63 7.92 -6.44 1 3 0 38 270.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-(1-propylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9R)-9-(1-propylimidazol-2-yl)-5…

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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) 2.63 7.34 -27.4 2 3 1 39 271.384 3 ↓
Mid Mid (pH 6-8) 2.63 6.83 -6.89 1 3 0 38 270.376 3 ↓

Analogs

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Popular Name: (9S)-9-(1-ethylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9S)-9-(1-ethylimidazol-2-yl)-5,…

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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 7.63 -27.19 2 3 1 39 257.357 2 ↓
Mid Mid (pH 6-8) 2.13 7.16 -6.78 1 3 0 38 256.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-(1-ethylimidazol-2-yl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-ol (9R)-9-(1-ethylimidazol-2-yl)-5,…

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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 6.58 -27.29 2 3 1 39 257.357 2 ↓
Mid Mid (pH 6-8) 2.13 6.07 -7.19 1 3 0 38 256.349 2 ↓

Parameters Provided:

ring.id = 345424
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 = 345424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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