UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4502521
4502521

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyl-4-piperidylidene)amino]-2-(o-tolylmethylsulfanyl)acetamide N-[(1-methyl-4-piperidylidene)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) 2.28 6.6 -13.96 1 4 0 45 305.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-[(1-methyl-4-piperidylidene)amino]acetamide 2-[(2-chlorophenyl)methylsulfany…

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) 2.51 6.49 -14.06 1 4 0 45 325.865 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methyl-4-piperidylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide N-[(1-methyl-4-piperidylidene)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) 1.84 6.78 -18.73 1 7 0 91 336.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromophenyl)methylsulfanyl]-N-[(1-methyl-4-piperidylidene)amino]acetamide 2-[(2-bromophenyl)methylsulfanyl…

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) 2.64 6.57 -13.99 1 4 0 45 370.316 5 ↓

Parameters Provided:

ring.id = 171902
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 = 171902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=171902&filter.purchasability=annotated

Embed Link to Results