UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2901265
2901265
3008781
3008781
3072811
3072811
4230095
4230095
4230099
4230099

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxybenzylidene)amino]oxamide N'-(3,4-dichlorophenyl)-N-[(E)-(…

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) 3.00 -3.72 -11.93 3 6 0 90 352.177 4 ↓

Analogs

2568384
2568384

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(E)-(4-hydroxybenzylidene)amino]-N-(2-methoxyphenyl)oxamide N'-[(E)-(4-hydroxybenzylidene)am…

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) 1.72 -3.31 -12.71 3 7 0 100 313.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(E)-(2-hydroxy-3-methoxy-benzylidene)amino]-N-(o-tolyl)oxamide N'-[(E)-(2-hydroxy-3-methoxy-ben…

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) 2.13 3.56 -13.76 3 7 0 100 327.34 5 ↓
Hi High (pH 8-9.5) 2.13 4.48 -56.34 2 7 -1 103 326.332 5 ↓

Analogs

15223202
15223202

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolyl)-N'-[(E)-[2-(trifluoromethyl)benzylidene]amino]oxamide N-(o-tolyl)-N'-[(E)-[2-(trifluor…

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) 3.44 1.27 -14.03 2 5 0 70 349.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(E)-(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-N'-phenyl-oxamide N-[(E)-(3-ethoxy-4-hydroxy-pheny…

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) 1.90 3.29 -12.05 3 7 0 100 327.34 6 ↓

Parameters Provided:

ring.id = 233579
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 = 233579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=233579&filter.purchasability=annotated

Embed Link to Results