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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: (2R,6S)-2-(benzyloxymethyl)-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-spiro[2,5-dihydropyran-6, (2R,6S)-2-(benzyloxymethyl)-1'-[…

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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) 7.47 16.62 -10.63 0 4 0 39 471.641 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-(benzyloxymethyl)-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-spiro[2,5-dihydropyran-6, (2S,6S)-2-(benzyloxymethyl)-1'-[…

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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) 7.47 16.35 -14.55 0 4 0 39 471.641 9 ↓

Analogs

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Popular Name: (2R,6R)-2-(benzyloxymethyl)-1'-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-spiro[2,5-dihydropyran-6, (2R,6R)-2-(benzyloxymethyl)-1'-[…

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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) 7.47 16.21 -9.49 0 4 0 39 471.641 9 ↓

Analogs

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Popular Name: (2R,6S)-2-(benzyloxymethyl)-4'-bromo-4-methyl-spiro[2,5-dihydropyran-6,3'-indoline]-2'-one (2R,6S)-2-(benzyloxymethyl)-4'-b…

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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) 4.47 8.75 -9.94 1 4 0 48 414.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-(benzyloxymethyl)-4'-bromo-4-methyl-spiro[2,5-dihydropyran-6,3'-indoline]-2'-one (2S,6S)-2-(benzyloxymethyl)-4'-b…

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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) 4.47 8.04 -12.59 1 4 0 48 414.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-(benzyloxymethyl)-4'-bromo-4-methyl-spiro[2,5-dihydropyran-6,3'-indoline]-2'-one (2R,6R)-2-(benzyloxymethyl)-4'-b…

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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) 4.47 8.29 -9.09 1 4 0 48 414.299 4 ↓

Analogs

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Popular Name: (2R,6S)-2-(benzyloxymethyl)-4-methyl-1'-(3-methylbut-2-enyl)spiro[2,5-dihydropyran-6,3'-indoline]-2' (2R,6S)-2-(benzyloxymethyl)-4-me…

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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) 5.63 13.07 -10.52 0 4 0 39 403.522 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-(benzyloxymethyl)-4-methyl-1'-(3-methylbut-2-enyl)spiro[2,5-dihydropyran-6,3'-indoline]-2' (2S,6S)-2-(benzyloxymethyl)-4-me…

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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) 5.63 12.81 -14.45 0 4 0 39 403.522 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-(benzyloxymethyl)-4-methyl-1'-(3-methylbut-2-enyl)spiro[2,5-dihydropyran-6,3'-indoline]-2' (2R,6R)-2-(benzyloxymethyl)-4-me…

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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) 5.63 12.68 -9.44 0 4 0 39 403.522 6 ↓

Parameters Provided:

ring.id = 471678
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 = 471678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=471678&filter.purchasability=annotated

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