UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25388163
25388163
6670725
6670725

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-N-(2-furylmethyl)-3-methyl-benzamide N-(2-anilino-2-oxo-ethyl)-N-(2-f…

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) 3.16 10.33 -16.42 1 5 0 63 348.402 6 ↓

Analogs

16614318
16614318
25387815
25387815
25387835
25387835
33691526
33691526
33734070
33734070

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-N-(2-furylmethyl)-3-methoxy-benzamide N-(2-anilino-2-oxo-ethyl)-N-(2-f…

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) 2.76 8.95 -18.44 1 6 0 72 364.401 7 ↓

Analogs

33719611
33719611
33876468
33876468

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-N-(2-furylmethyl)-3-nitro-benzamide N-(2-anilino-2-oxo-ethyl)-N-(2-f…

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) 2.67 10.32 -20.96 1 8 0 108 379.372 7 ↓

Analogs

16614318
16614318
33691526
33691526
33734070
33734070

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-N-(2-furylmethyl)-4-methoxy-benzamide N-(2-anilino-2-oxo-ethyl)-N-(2-f…

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) 2.79 8.95 -16.72 1 6 0 72 364.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-3-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamid N-(2-furylmethyl)-3-[methoxy(met…

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) 2.83 8.39 -20.28 1 9 0 109 525.505 10 ↓

Parameters Provided:

ring.id = 231036
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 = 231036 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=231036&filter.purchasability=annotated

Embed Link to Results