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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

41507994
41507994

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-phenyl-chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 5.76 12.54 -15.1 0 5 0 58 420.848 4 ↓

Analogs

41507998
41507998

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-4-methyl-3-phenyl-chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 6.13 12.96 -15.63 0 5 0 58 434.875 4 ↓

Analogs

41507986
41507986

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-chlorophenyl)chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 6.44 13.06 -14.61 0 5 0 58 455.293 4 ↓

Analogs

41507990
41507990

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-chlorophenyl)-4-methyl-chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 6.81 13.48 -14.86 0 5 0 58 469.32 4 ↓

Analogs

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-methoxyphenyl)chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 5.82 11.84 -15.8 0 6 0 67 450.874 5 ↓

Analogs

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-methoxyphenyl)-4-methyl-chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 6.19 12.26 -16.24 0 6 0 67 464.901 5 ↓

Analogs

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(3,4-dimethoxyphenyl)chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 5.41 11.74 -18.3 0 7 0 76 480.9 6 ↓

Analogs

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(3,4-dimethoxyphenyl)-4-methyl-chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 5.78 12.19 -19.13 0 7 0 76 494.927 6 ↓

Analogs

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Popular Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(2,5-dimethoxyphenyl)chromen-2-one 7-[(6-chloro-4H-1,3-benzodioxin-…

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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) 5.80 11.17 -17.56 0 7 0 76 480.9 6 ↓

Analogs

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Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-3-phenyl-chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 5.89 12.65 -15.07 0 5 0 58 465.299 4 ↓

Analogs

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Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-4-methyl-3-phenyl-chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 6.27 13.06 -15.65 0 5 0 58 479.326 4 ↓

Analogs

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Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-chlorophenyl)chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 6.57 13.16 -14.57 0 5 0 58 499.744 4 ↓

Analogs

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Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-chlorophenyl)-4-methyl-chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 6.94 13.58 -14.84 0 5 0 58 513.771 4 ↓

Analogs

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Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-methoxyphenyl)chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 5.95 11.94 -15.74 0 6 0 67 495.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-methoxyphenyl)-4-methyl-chromen-2-one 7-[(6-bromo-4H-1,3-benzodioxin-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) 6.32 12.36 -16.16 0 6 0 67 509.352 5 ↓

Parameters Provided:

ring.id = 537174
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 = 537174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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