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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: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-4-hydroxy-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.31 10.45 -57.92 3 8 1 97 487.58 7 ↓
Mid Mid (pH 6-8) 3.31 8.33 -21.69 2 8 0 96 486.572 7 ↓

Analogs

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Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-3-nitro-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.72 13.81 -72.01 2 10 1 123 516.578 8 ↓
Mid Mid (pH 6-8) 3.72 11.52 -35.12 1 10 0 122 515.57 8 ↓

Analogs

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Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-2-hydroxy-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 4.27 11.83 -58.69 3 8 1 97 487.58 7 ↓
Hi High (pH 8-9.5) 4.27 10.72 -69.76 1 8 -1 99 485.564 7 ↓
Mid Mid (pH 6-8) 4.27 9.7 -22.86 2 8 0 96 486.572 7 ↓

Analogs

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Popular Name: 4-amino-N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]benzamide 4-amino-N-[[4-ethoxy-3-[(oxoBLAH…

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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) 2.86 11.01 -63.02 4 8 1 103 486.596 7 ↓
Mid Mid (pH 6-8) 2.86 8.73 -28.95 3 8 0 102 485.588 7 ↓

Analogs

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Popular Name: 2-chloro-N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]benzamide 2-chloro-N-[[4-ethoxy-3-[(oxoBLA…

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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) 4.41 13.78 -58.06 2 7 1 77 506.026 7 ↓
Mid Mid (pH 6-8) 4.41 11.66 -22.14 1 7 0 76 505.018 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-3-hydroxy-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.28 10.24 -63.85 3 8 1 97 487.58 7 ↓
Mid Mid (pH 6-8) 3.28 7.96 -28.78 2 8 0 96 486.572 7 ↓

Analogs

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Popular Name: 2-acetamido-N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]benzamide 2-acetamido-N-[[4-ethoxy-3-[(oxo…

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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) 2.96 12.49 -63.83 3 9 1 106 528.633 8 ↓
Mid Mid (pH 6-8) 2.96 10.21 -28.3 2 9 0 105 527.625 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-2-nitro-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.70 14.86 -74.17 2 10 1 123 516.578 8 ↓
Mid Mid (pH 6-8) 3.70 12.59 -38.7 1 10 0 122 515.57 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-2-methyl-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 4.18 13.96 -55.54 2 7 1 77 485.608 7 ↓
Mid Mid (pH 6-8) 4.18 11.83 -19.96 1 7 0 76 484.6 7 ↓

Analogs

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Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-3-fluoro-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.92 13.23 -64.76 2 7 1 77 489.571 7 ↓
Mid Mid (pH 6-8) 3.92 10.95 -29.03 1 7 0 76 488.563 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-ethoxy-3-[(oxoBLAHyl)methyl]phenyl]methyleneamino]-4-fluoro-benzamide N-[[4-ethoxy-3-[(oxoBLAHyl)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) 3.95 13.35 -56.42 2 7 1 77 489.571 7 ↓
Mid Mid (pH 6-8) 3.95 11.23 -19.93 1 7 0 76 488.563 7 ↓

Parameters Provided:

ring.id = 74950
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 = 74950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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