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

Analogs

27474147
27474147

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Popular Name: (Z)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile (Z)-2-[4-(6-bromo-2-oxo-chromen-…

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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 10.55 -16.84 1 8 0 133 496.298 4 ↓
Mid Mid (pH 6-8) 4.58 11.58 -45.8 0 8 -1 136 495.29 4 ↓

Analogs

44827452
44827452

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Popular Name: (E)-2-[4-(6-chloro-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(p-tolyl)prop-2-enenitrile (E)-2-[4-(6-chloro-2-oxo-chromen…

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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 12.95 -11.55 0 4 0 67 404.878 3 ↓

Analogs

44827452
44827452
9034246
9034246

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Popular Name: (Z)-2-[4-(6-chloro-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile (Z)-2-[4-(6-chloro-2-oxo-chromen…

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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 12.65 -10.06 0 4 0 67 425.296 3 ↓

Analogs

16943270
16943270

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Popular Name: (Z)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile (Z)-3-(4-hydroxy-3-methoxy-5-nit…

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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) 3.58 9.66 -27.17 1 9 0 142 447.428 5 ↓

Analogs

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Popular Name: (E)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(2-ethoxyphenyl)prop-2-enenitrile (E)-2-[4-(6-bromo-2-oxo-chromen-…

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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) 5.12 12.84 -10.09 0 5 0 76 479.355 5 ↓

Analogs

4422327
4422327
4427950
4427950

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Popular Name: (Z)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(p-tolyl)prop-2-enenitrile (Z)-2-[4-(6-bromo-2-oxo-chromen-…

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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) 5.36 13.18 -10.88 0 4 0 67 449.329 3 ↓

Parameters Provided:

ring.id = 10970
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 = 10970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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