UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9S)-5-(4-methoxybenzoyl)-6-(…

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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) 5.32 11.46 -21.2 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9S)-5-(4-methoxybenzoyl)-6-(…

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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) 5.32 11.49 -20.03 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9R)-5-(4-methoxybenzoyl)-6-(…

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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) 5.32 11.45 -19.9 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9R)-5-(4-methoxybenzoyl)-6-(…

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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) 5.32 11.51 -20.14 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9S)-5-(2-methoxybenzoyl)-6-(…

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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) 5.82 12.55 -25.91 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9S)-5-(2-methoxybenzoyl)-6-(…

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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) 5.82 12.38 -25.95 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9R)-5-(2-methoxybenzoyl)-6-(…

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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) 5.82 12.54 -24.39 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9R)-5-(2-methoxybenzoyl)-6-(…

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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) 5.82 12.38 -24.75 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6S,9S)-5-(4-chlorobenzoyl)-6-(4…

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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) 5.94 12.66 -19.57 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6R,9S)-5-(4-chlorobenzoyl)-6-(4…

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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) 5.94 12.7 -19.67 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6S,9R)-5-(4-chlorobenzoyl)-6-(4…

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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) 5.94 12.66 -18.25 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6R,9R)-5-(4-chlorobenzoyl)-6-(4…

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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) 5.94 12.71 -18.49 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6S,9R)-6-(3,5-difluorophenyl)-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) 6.02 12.76 -22.98 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6R,9R)-6-(3,5-difluorophenyl)-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) 6.02 13.18 -23.59 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6S,9S)-6-(3,5-difluorophenyl)-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) 6.02 12.88 -23 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6R,9S)-6-(3,5-difluorophenyl)-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) 6.02 13.12 -23.33 1 5 0 59 474.507 3 ↓

Parameters Provided:

ring.id = 110450
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 = 110450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110450&filter.purchasability=annotated

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