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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: (4Z)-4-[(5-nitro-3-thienyl)methylene]-2-phenyl-oxazol-5-one (4Z)-4-[(5-nitro-3-thienyl)methy…

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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) 2.98 8.62 -10.14 0 6 0 89 300.295 3 ↓

Analogs

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Popular Name: (4E)-4-[(5-nitro-3-thienyl)methylene]-2-phenyl-oxazol-5-one (4E)-4-[(5-nitro-3-thienyl)methy…

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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) 2.98 7.5 -8.9 0 6 0 89 300.295 3 ↓

Analogs

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Popular Name: (4Z)-2-(2-ethoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-(2-ethoxyphenyl)-4-[(5-ni…

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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) 3.37 9.25 -11.01 0 7 0 98 344.348 5 ↓

Analogs

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Popular Name: (4E)-2-(2-ethoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-(2-ethoxyphenyl)-4-[(5-ni…

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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) 3.37 8.26 -10.38 0 7 0 98 344.348 5 ↓

Analogs

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Popular Name: (4Z)-2-(3-methoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-(3-methoxyphenyl)-4-[(5-n…

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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) 3.02 7.92 -12.3 0 7 0 98 330.321 4 ↓

Analogs

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Popular Name: (4E)-2-(3-methoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-(3-methoxyphenyl)-4-[(5-n…

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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) 3.02 6.79 -10.54 0 7 0 98 330.321 4 ↓

Analogs

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Popular Name: (4Z)-2-(4-ethoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-(4-ethoxyphenyl)-4-[(5-ni…

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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) 3.42 8.84 -10.15 0 7 0 98 344.348 5 ↓

Analogs

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Popular Name: (4E)-2-(4-ethoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-(4-ethoxyphenyl)-4-[(5-ni…

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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) 3.42 7.7 -8.9 0 7 0 98 344.348 5 ↓

Analogs

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Popular Name: (4Z)-2-(2-methoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-(2-methoxyphenyl)-4-[(5-n…

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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) 2.99 8.49 -11.21 0 7 0 98 330.321 4 ↓

Analogs

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Popular Name: (4E)-2-(2-methoxyphenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-(2-methoxyphenyl)-4-[(5-n…

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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) 2.99 7.33 -10.65 0 7 0 98 330.321 4 ↓

Analogs

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Popular Name: (4Z)-4-[(5-nitro-3-thienyl)methylene]-2-(o-tolyl)oxazol-5-one (4Z)-4-[(5-nitro-3-thienyl)methy…

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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) 3.38 9.81 -10.08 0 6 0 89 314.322 3 ↓

Analogs

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Popular Name: (4E)-4-[(5-nitro-3-thienyl)methylene]-2-(o-tolyl)oxazol-5-one (4E)-4-[(5-nitro-3-thienyl)methy…

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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) 3.38 9 -8.64 0 6 0 89 314.322 3 ↓

Analogs

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Popular Name: (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-[2-(difluoromethoxy)pheny…

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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) 3.55 8.77 -12.26 0 7 0 98 366.301 5 ↓

Analogs

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Popular Name: (4E)-2-[2-(difluoromethoxy)phenyl]-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-[2-(difluoromethoxy)pheny…

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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) 3.55 7.61 -11.47 0 7 0 98 366.301 5 ↓

Analogs

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Popular Name: (4Z)-2-(2,4-difluorophenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4Z)-2-(2,4-difluorophenyl)-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) 3.24 8.95 -8.98 0 6 0 89 336.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,4-difluorophenyl)-4-[(5-nitro-3-thienyl)methylene]oxazol-5-one (4E)-2-(2,4-difluorophenyl)-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) 3.24 7.91 -8.93 0 6 0 89 336.275 3 ↓

Analogs

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Popular Name: N-[4-[(4Z)-4-[(5-nitro-3-thienyl)methylene]-5-oxo-oxazol-2-yl]phenyl]acetamide N-[4-[(4Z)-4-[(5-nitro-3-thienyl…

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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) 2.20 7.03 -20.61 1 8 0 118 357.347 4 ↓

Analogs

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Popular Name: N-[4-[(4E)-4-[(5-nitro-3-thienyl)methylene]-5-oxo-oxazol-2-yl]phenyl]acetamide N-[4-[(4E)-4-[(5-nitro-3-thienyl…

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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) 2.20 5.96 -17.14 1 8 0 118 357.347 4 ↓

Analogs

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Popular Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-(3-thienylmethylene)oxazol-5-one (4Z)-2-(3,4-dimethoxyphenyl)-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) 2.55 6.9 -10.51 0 5 0 62 315.35 4 ↓

Analogs

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Popular Name: (4Z)-2-(4-ethoxyphenyl)-4-(3-thienylmethylene)oxazol-5-one (4Z)-2-(4-ethoxyphenyl)-4-(3-thi…

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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) 3.33 7.91 -8.06 0 4 0 52 299.351 4 ↓

Parameters Provided:

ring.id = 123509
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 = 123509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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