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

Analogs

41650943
41650943
41650949
41650949
41650959
41650959
41650964
41650964
41650969
41650969

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Popular Name: 7-[(benzyl-methyl-amino)methyl]-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzofuran-3-o 7-[(benzyl-methyl-amino)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) 4.58 1.58 -44.88 2 6 1 69 455.534 6 ↓

Analogs

41584053
41584053
41584463
41584463
41510693
41510693

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(1-methylindol-3-yl)methylene]benzofuran- (2Z)-7-[[benzyl(methyl)amino]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) 4.92 13.88 -54.4 2 5 1 60 439.535 5 ↓
Hi High (pH 8-9.5) 4.92 12.09 -45.11 0 5 -1 61 437.519 5 ↓
Mid Mid (pH 6-8) 4.92 11.53 -11.69 1 5 0 59 438.527 5 ↓

Analogs

41584054
41584054
41584464
41584464
41510697
41510697

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-4-methyl-benzofuran- (2Z)-7-[[benzyl(methyl)amino]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) 5.30 14.8 -54.63 2 5 1 60 453.562 6 ↓
Hi High (pH 8-9.5) 5.30 13.01 -44.94 0 5 -1 61 451.546 6 ↓
Mid Mid (pH 6-8) 5.30 15.37 -36.08 1 5 0 63 452.554 6 ↓

Analogs

41584055
41584055
41584465
41584465
41510702
41510702

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl (2Z)-7-[[benzyl(methyl)amino]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) 4.96 12.8 -57.94 2 6 1 69 469.561 6 ↓
Hi High (pH 8-9.5) 4.96 11.24 -49.04 0 6 -1 71 467.545 6 ↓
Mid Mid (pH 6-8) 4.96 10.48 -13.28 1 6 0 68 468.553 6 ↓

Analogs

41584056
41584056
41584466
41584466
41510705
41510705

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-4-methyl- (2Z)-7-[[benzyl(methyl)amino]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) 5.33 14.09 -57.84 2 6 1 69 483.588 7 ↓
Hi High (pH 8-9.5) 5.33 12.3 -46.73 0 6 -1 71 481.572 7 ↓
Mid Mid (pH 6-8) 5.33 11.74 -13.38 1 6 0 68 482.58 7 ↓

Parameters Provided:

ring.id = 7201
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 = 7201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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