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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: (3S,4'R,6'S)-4',6'-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-tetrahydropyran (3S,4'R,6'S)-4',6'-dimethyl-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) 4.94 12.17 -7.78 0 3 0 30 389.417 3 ↓

Analogs

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Popular Name: (3S,4'S,6'S)-4',6'-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-tetrahydropyran (3S,4'S,6'S)-4',6'-dimethyl-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) 4.94 12.16 -7.67 0 3 0 30 389.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'R,6'R)-4',6'-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-tetrahydropyran (3S,4'R,6'R)-4',6'-dimethyl-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) 4.94 12.24 -8.12 0 3 0 30 389.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'R)-4',6'-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]spiro[indoline-3,2'-tetrahydropyran (3S,4'S,6'R)-4',6'-dimethyl-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) 4.94 11.79 -10.21 0 3 0 30 389.417 3 ↓

Analogs

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Popular Name: (3S,4'R,6'S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran (3S,4'R,6'S)-1-[(2E)-3,7-dimethy…

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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) 6.22 13.32 -8.43 0 3 0 30 367.533 5 ↓

Analogs

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Popular Name: (3S,4'S,6'S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran (3S,4'S,6'S)-1-[(2E)-3,7-dimethy…

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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) 6.22 13.32 -8.24 0 3 0 30 367.533 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'R,6'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran (3S,4'R,6'R)-1-[(2E)-3,7-dimethy…

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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) 6.22 13.4 -8.56 0 3 0 30 367.533 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran (3S,4'S,6'R)-1-[(2E)-3,7-dimethy…

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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) 6.22 12.94 -11.01 0 3 0 30 367.533 5 ↓

Analogs

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Popular Name: (3S,4'R,6'S)-1-[(4-fluorophenyl)methyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'R,6'S)-1-[(4-fluorophenyl)…

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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) 4.26 10.95 -8.62 0 3 0 30 339.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'S)-1-[(4-fluorophenyl)methyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'S,6'S)-1-[(4-fluorophenyl)…

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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) 4.26 10.94 -8.44 0 3 0 30 339.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'R,6'R)-1-[(4-fluorophenyl)methyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'R,6'R)-1-[(4-fluorophenyl)…

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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) 4.26 11.05 -8.61 0 3 0 30 339.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'R)-1-[(4-fluorophenyl)methyl]-4',6'-dimethyl-spiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'S,6'R)-1-[(4-fluorophenyl)…

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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) 4.26 10.58 -11.13 0 3 0 30 339.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'R,6'S)-4',6'-dimethylspiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'R,6'S)-4',6'-dimethylspiro…

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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) 2.45 5.02 -6.73 1 3 0 38 231.295 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'S)-4',6'-dimethylspiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'S,6'S)-4',6'-dimethylspiro…

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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) 2.45 5 -6.71 1 3 0 38 231.295 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'R,6'R)-4',6'-dimethylspiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'R,6'R)-4',6'-dimethylspiro…

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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) 2.45 5.09 -6.88 1 3 0 38 231.295 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4'S,6'R)-4',6'-dimethylspiro[indoline-3,2'-tetrahydropyran]-2-one (3S,4'S,6'R)-4',6'-dimethylspiro…

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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) 2.45 4.63 -8.95 1 3 0 38 231.295 0 ↓

Parameters Provided:

ring.id = 471640
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 = 471640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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