UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36144768
36144768
13895777
13895777

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Popular Name: (Z)-(4-hydroxy-3-nitro-phenyl)methylene-(2-thienyl)BLAHone (Z)-(4-hydroxy-3-nitro-phenyl)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) 6.31 12.82 -17.88 1 7 0 100 487.562 3 ↓

Analogs

36144767
36144767

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Popular Name: (Z)-(4-hydroxy-3-nitro-phenyl)methylene-(2-thienyl)BLAHone (Z)-(4-hydroxy-3-nitro-phenyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.31 12.75 -17.51 1 7 0 100 487.562 3 ↓

Analogs

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Popular Name: (Z)-[5-[(4-chlorophenyl)thio]-2-furyl]methylene-(2-methoxyphenyl)BLAHone (Z)-[5-[(4-chlorophenyl)thio]-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) 8.95 1.04 -16.15 0 5 0 56 583.134 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-[5-[(4-chlorophenyl)thio]-2-furyl]methylene-(2-methoxyphenyl)BLAHone (Z)-[5-[(4-chlorophenyl)thio]-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 8.66 18.67 -14.9 0 5 0 57 583.134 5 ↓

Parameters Provided:

ring.id = 69246
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 = 69246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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