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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38731031
38731031
38731035
38731035
38731038
38731038

Draw Identity 99% 90% 80% 70%

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

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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) 5.18 14.46 -11.62 1 5 0 53 521.705 9 ↓
Mid Mid (pH 6-8) 5.18 16.67 -41.71 2 5 1 54 522.713 9 ↓

Analogs

38731035
38731035
38731038
38731038
38731027
38731027

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-N-(3,3-diphenylpropyl)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) 5.18 15.47 -15.85 1 5 0 53 521.705 9 ↓
Mid Mid (pH 6-8) 5.18 17.68 -47.44 2 5 1 54 522.713 9 ↓

Analogs

38731038
38731038
38731027
38731027
38731031
38731031

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-(4-benzylpiperazine-1-carbonyl)-N-(3,3-diphenylpropyl)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) 5.18 15.58 -15.01 1 5 0 53 521.705 9 ↓
Mid Mid (pH 6-8) 5.18 17.81 -45.49 2 5 1 54 522.713 9 ↓

Analogs

38731027
38731027
38731031
38731031
38731035
38731035

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-(4-benzylpiperazine-1-carbonyl)-N-(3,3-diphenylpropyl)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) 5.18 14.86 -11.26 1 5 0 53 521.705 9 ↓
Mid Mid (pH 6-8) 5.18 17.06 -52.39 2 5 1 54 522.713 9 ↓

Parameters Provided:

ring.id = 597895
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 = 597895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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