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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: 7-hydroxy-3-(2-methoxyphenoxy)-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenoxy)-8…

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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 10.7 -49.45 2 7 1 86 459.522 6 ↓
Hi High (pH 8-9.5) 4.26 11.48 -43.99 1 7 0 89 458.514 6 ↓
Hi High (pH 8-9.5) 4.26 8.82 -15.37 1 7 0 85 458.514 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenoxy)-2…

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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) 4.48 12 -49.68 2 7 1 86 473.549 6 ↓
Hi High (pH 8-9.5) 4.48 10.19 -14.53 1 7 0 85 472.541 6 ↓
Hi High (pH 8-9.5) 4.48 12.57 -32.81 1 7 0 89 472.541 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(3-methoxyphenoxy)-8…

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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) 4.48 10.19 -49.11 2 7 1 86 459.522 6 ↓
Hi High (pH 8-9.5) 4.48 10.97 -45.28 1 7 0 89 458.514 6 ↓
Hi High (pH 8-9.5) 4.48 8.32 -15.23 1 7 0 85 458.514 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(3-methoxyphenoxy)-2…

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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) 4.70 11.51 -49.22 2 7 1 86 473.549 6 ↓
Hi High (pH 8-9.5) 4.70 12.08 -31.39 1 7 0 89 472.541 6 ↓
Hi High (pH 8-9.5) 4.70 9.7 -13.07 1 7 0 85 472.541 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenoxy)-8…

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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) 4.51 10.19 -49.22 2 7 1 86 459.522 6 ↓
Hi High (pH 8-9.5) 4.51 8.3 -13.56 1 7 0 85 458.514 6 ↓
Hi High (pH 8-9.5) 4.51 10.96 -42.89 1 7 0 89 458.514 6 ↓

Analogs

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Popular Name: 7-hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenoxy)-2…

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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) 4.73 11.49 -48.55 2 7 1 86 473.549 6 ↓
Hi High (pH 8-9.5) 4.73 12.06 -31.75 1 7 0 89 472.541 6 ↓
Hi High (pH 8-9.5) 4.73 9.69 -12.77 1 7 0 85 472.541 6 ↓

Analogs

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Popular Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 3-(2-ethoxyphenoxy)-7-hydroxy-8-…

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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) 4.64 11.62 -49.22 2 7 1 86 473.549 7 ↓
Hi High (pH 8-9.5) 4.64 12.4 -43.84 1 7 0 89 472.541 7 ↓
Hi High (pH 8-9.5) 4.64 9.74 -15.25 1 7 0 85 472.541 7 ↓

Analogs

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Popular Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 3-(2-ethoxyphenoxy)-7-hydroxy-2-…

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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) 4.86 12.41 -48.28 2 7 1 86 487.576 7 ↓
Hi High (pH 8-9.5) 4.86 10.52 -15.03 1 7 0 85 486.568 7 ↓
Hi High (pH 8-9.5) 4.86 13.19 -43.79 1 7 0 89 486.568 7 ↓

Analogs

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Popular Name: propyl propyl

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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) 5.50 13.29 -51.72 2 8 1 103 515.586 9 ↓
Hi High (pH 8-9.5) 5.50 11.41 -14.31 1 8 0 102 514.578 9 ↓

Analogs

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Popular Name: propyl propyl

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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) 5.72 14.09 -49.84 2 8 1 103 529.613 9 ↓
Hi High (pH 8-9.5) 5.72 12.21 -14.52 1 8 0 102 528.605 9 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.62 11.56 -52.09 2 8 1 103 487.532 7 ↓
Hi High (pH 8-9.5) 4.62 9.68 -14.76 1 8 0 102 486.524 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.84 12.86 -50.6 2 8 1 103 501.559 7 ↓
Hi High (pH 8-9.5) 4.84 11.05 -13.82 1 8 0 102 500.551 7 ↓

Analogs

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Popular Name: 3-(2-bromophenoxy)-7-hydroxy-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 3-(2-bromophenoxy)-7-hydroxy-8-[…

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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) 5.21 11.53 -48.18 2 6 1 77 508.392 5 ↓
Hi High (pH 8-9.5) 5.21 9.64 -12.98 1 6 0 76 507.384 5 ↓
Hi High (pH 8-9.5) 5.21 12.3 -41.59 1 6 0 80 507.384 5 ↓

Analogs

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Popular Name: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 3-(2-bromophenoxy)-7-hydroxy-2-m…

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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) 5.43 12.84 -47.86 2 6 1 77 522.419 5 ↓
Hi High (pH 8-9.5) 5.43 13.41 -29.87 1 6 0 80 521.411 5 ↓
Hi High (pH 8-9.5) 5.43 11.03 -11.82 1 6 0 76 521.411 5 ↓

Parameters Provided:

ring.id = 549878
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 = 549878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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