UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38730928
38730928
38730931
38730931
38730934
38730934

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6R)-6-(4-benzylpiperazine-1-carbonyl)-N-(2,2-diphenylethyl)cyclohex-3-ene-1-carboxamide (1S,6R)-6-(4-benzylpiperazine-1-…

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) 4.91 13.83 -11.4 1 5 0 53 507.678 8 ↓

Analogs

38730931
38730931
38730934
38730934
38730925
38730925

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-N-(2,2-diphenylethyl)cyclohex-3-ene-1-carboxamide (1S,6S)-6-(4-benzylpiperazine-1-…

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) 4.91 14.84 -14.4 1 5 0 53 507.678 8 ↓

Analogs

38730934
38730934
38730925
38730925
38730928
38730928

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(4-benzylpiperazine-1-carbonyl)-N-(2,2-diphenylethyl)cyclohex-3-ene-1-carboxamide (1R,6R)-6-(4-benzylpiperazine-1-…

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) 4.91 14.97 -14.73 1 5 0 53 507.678 8 ↓

Analogs

38730925
38730925
38730928
38730928
38730931
38730931

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(4-benzylpiperazine-1-carbonyl)-N-(2,2-diphenylethyl)cyclohex-3-ene-1-carboxamide (1R,6S)-6-(4-benzylpiperazine-1-…

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) 4.91 14.15 -10.42 1 5 0 53 507.678 8 ↓

Parameters Provided:

ring.id = 597866
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 = 597866 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=597866&filter.purchasability=annotated

Embed Link to Results