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

Analogs

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-(2-thienylmethylene)benzofuran-3-o (2Z)-6-hydroxy-4-methyl-7-[[4-(2…

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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) 3.90 8.74 -34.83 2 6 1 71 434.541 4 ↓
Hi High (pH 8-9.5) 3.90 9.18 -44.08 0 6 -1 73 432.525 4 ↓
Mid Mid (pH 6-8) 3.90 9.5 -51.96 1 6 0 74 433.533 4 ↓

Analogs

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Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]ben (2Z)-6-hydroxy-4-methyl-2-[(3-me…

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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 9.35 -34.82 2 6 1 71 448.568 4 ↓
Hi High (pH 8-9.5) 4.27 9.8 -44.45 0 6 -1 73 446.552 4 ↓
Mid Mid (pH 6-8) 4.27 10.11 -52.11 1 6 0 74 447.56 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-(2-thienylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[[4-(2-pyridyl)…

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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) 3.52 8.36 -37.38 2 6 1 71 420.514 4 ↓
Hi High (pH 8-9.5) 3.52 8.63 -42.6 0 6 -1 73 418.498 4 ↓
Mid Mid (pH 6-8) 3.52 10.62 -106.29 3 6 2 72 421.522 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3 (2Z)-6-hydroxy-2-[(3-methyl-2-th…

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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) 3.90 8.69 -35.1 2 6 1 71 434.541 4 ↓
Hi High (pH 8-9.5) 3.90 9.15 -43.57 0 6 -1 73 432.525 4 ↓
Mid Mid (pH 6-8) 3.90 8.38 -10.18 1 6 0 70 433.533 4 ↓

Parameters Provided:

ring.id = 550332
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 = 550332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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