UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-hydroxy-3-nitro-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(4-hydroxy-3-nitro-phenyl)met…

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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) 4.49 8.38 -15.76 2 8 0 121 375.34 4 ↓

Analogs

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Popular Name: N-[(Z)-(3-chloro-4,5-diethoxy-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(Z)-(3-chloro-4,5-diethoxy-ph…

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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) 6.02 11.67 -15.66 1 6 0 73 436.895 7 ↓

Analogs

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Popular Name: N-[(Z)-(4-allyloxy-3-bromo-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(Z)-(4-allyloxy-3-bromo-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) 6.26 11.42 -13.34 1 5 0 64 449.304 6 ↓

Analogs

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Popular Name: N-[(Z)-(3-bromo-4-hydroxy-5-nitro-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(Z)-(3-bromo-4-hydroxy-5-nitr…

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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) 5.23 10.33 -45 1 8 -1 123 453.228 4 ↓
Mid Mid (pH 6-8) 5.23 9.33 -15.41 2 8 0 121 454.236 4 ↓

Analogs

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Popular Name: N-[(Z)-(4-allyloxy-3,5-dichloro-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(Z)-(4-allyloxy-3,5-dichloro-…

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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) 6.74 12 -13.64 1 5 0 64 439.298 6 ↓

Analogs

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Popular Name: N-[(E)-(4-acetamidobenzylidene)amino]benzo[e]benzofuran-2-carboxamide N-[(E)-(4-acetamidobenzylidene)a…

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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) 4.04 -0.92 -22.3 2 6 0 83 371.396 4 ↓

Analogs

5777312
5777312

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Popular Name: N'-[2-(cyanomethoxy)benzylidene]naphtho[2,1-b]furan-2-carbohydrazide N'-[2-(cyanomethoxy)benzylidene]…

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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 1.57 -21.88 1 6 0 87 369.38 5 ↓

Analogs

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Popular Name: N-[(E)-(3-bromo-4-ethoxy-benzylidene)amino]benzo[e]benzofuran-2-carboxamide N-[(E)-(3-bromo-4-ethoxy-benzyli…

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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) 5.99 10.49 -12.95 1 5 0 64 437.293 5 ↓

Analogs

2161484
2161484

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Popular Name: N-[(E)-[4-(cyanomethoxy)-3-ethoxy-benzylidene]amino]benzo[e]benzofuran-2-carboxamide N-[(E)-[4-(cyanomethoxy)-3-ethox…

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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) 4.63 10.45 -21.09 1 7 0 97 413.433 7 ↓

Analogs

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Popular Name: N-[(4-allyloxy-3,5-dichloro-phenyl)methyleneamino]benzo[e]benzofuran-2-carboxamide N-[(4-allyloxy-3,5-dichloro-phen…

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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) 6.74 11.66 -13.75 1 5 0 64 439.298 6 ↓

Parameters Provided:

ring.id = 52304
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 = 52304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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