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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788713
2788713
2791636
2791636
2791806
2791806

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-nitrophenoxy)methyl]-2-furyl]BLAH [5-[(4-nitrophenoxy)methyl]-2-fu…

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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 13.91 -17.23 0 9 0 111 447.476 5 ↓

Analogs

2789566
2789566
2790354
2790354
2790355
2790355
2790803
2790803
2790804
2790804

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Popular Name: [5-[(4-ethoxyphenoxy)methyl]-2-furyl]BLAH [5-[(4-ethoxyphenoxy)methyl]-2-f…

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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) 5.69 13.45 -14.58 0 7 0 75 446.532 6 ↓

Analogs

2790803
2790803
2790804
2790804

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-fluorophenoxy)methyl]-2-furyl]BLAH [5-[(4-fluorophenoxy)methyl]-2-f…

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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) 5.42 13.31 -13.79 0 6 0 65 420.469 4 ↓

Analogs

2790355
2790355
2790901
2790901
2790902
2790902
2796696
2796696
2797062
2797062

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-methoxyphenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(4-methoxyphenoxy)methyl]-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) 5.79 13.14 -14.32 0 7 0 75 446.532 5 ↓

Analogs

2790901
2790901
2790902
2790902
2796696
2796696
2797062
2797062
2788211
2788211

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-methoxyphenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(4-methoxyphenoxy)methyl]-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) 5.79 13.14 -14.29 0 7 0 75 446.532 5 ↓

Analogs

2790804
2790804
2796696
2796696
2797062
2797062
2788211
2788211
2788427
2788427

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-fluorophenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(4-fluorophenoxy)methyl]-2-f…

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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) 5.89 13.92 -13.36 0 6 0 65 434.496 4 ↓

Analogs

2796696
2796696
2797062
2797062
2788211
2788211
2788427
2788427
2788939
2788939

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-fluorophenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(4-fluorophenoxy)methyl]-2-f…

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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) 5.89 13.93 -13.33 0 6 0 65 434.496 4 ↓

Analogs

2790902
2790902
2796696
2796696
2796916
2796916
2797062
2797062
2786199
2786199

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2-methoxyphenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(2-methoxyphenoxy)methyl]-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) 5.34 13.76 -16.29 0 7 0 75 446.532 5 ↓

Analogs

2796696
2796696
2796916
2796916
2797062
2797062
2786199
2786199
2788211
2788211

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2-methoxyphenoxy)methyl]-2-furyl]-methyl-BLAH [5-[(2-methoxyphenoxy)methyl]-2-…

Find On: PubMed — Wikipedia — Google

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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) 5.34 13.76 -16.3 0 7 0 75 446.532 5 ↓

Analogs

2796938
2796938
2790803
2790803
2790804
2790804

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2,4-difluorophenoxy)methyl]-2-furyl]BLAH [5-[(2,4-difluorophenoxy)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) 5.51 13.39 -15.95 0 6 0 65 438.459 4 ↓

Analogs

2790902
2790902
2790901
2790901

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2-methoxyphenoxy)methyl]-2-furyl]BLAH [5-[(2-methoxyphenoxy)methyl]-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.87 13.14 -16.73 0 7 0 75 432.505 5 ↓

Analogs

2797062
2797062
2788211
2788211
2796696
2796696

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3-methylphenoxy)methyl]-2-furyl]BLAH [5-[(3-methylphenoxy)methyl]-2-f…

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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) 5.68 13.92 -13.81 0 6 0 65 416.506 4 ↓

Analogs

2790355
2790355
2790354
2790354

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-methoxyphenoxy)methyl]-2-furyl]BLAH [5-[(4-methoxyphenoxy)methyl]-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.31 12.53 -14.78 0 7 0 75 432.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2-nitrophenoxy)methyl]-2-furyl]BLAH [5-[(2-nitrophenoxy)methyl]-2-fu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.17 14.68 -23.09 0 9 0 111 447.476 5 ↓

Analogs

2798038
2798038
2788713
2788713

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl-[5-[(4-nitrophenoxy)methyl]-2-furyl]BLAH tert-butyl-[5-[(4-nitrophenoxy)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) 7.02 15.95 -16.42 0 9 0 111 503.584 6 ↓

Analogs

2788713
2788713
2798037
2798037

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl-[5-[(4-nitrophenoxy)methyl]-2-furyl]BLAH tert-butyl-[5-[(4-nitrophenoxy)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) 7.02 15.95 -16.45 0 9 0 111 503.584 6 ↓

Parameters Provided:

ring.id = 236133
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 = 236133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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