UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(3-chlorophenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(3-…

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) 3.22 9 -5.84 0 3 0 30 333.859 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(3-fluorophenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(3-…

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) 2.71 8.55 -6.14 0 3 0 30 317.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-(4-phenyltetrahydropyran-4-carbonyl)-6-azaspiro[2.5]octane-1-carboxylic (1S)-6-(4-phenyltetrahydropyran-…

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) 2.05 8.91 -46.12 0 5 -1 70 342.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-(4-phenyltetrahydropyran-4-carbonyl)-6-azaspiro[2.5]octane-1-carboxylic (1R)-6-(4-phenyltetrahydropyran-…

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) 2.05 8.9 -52.15 0 5 -1 70 342.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-(4-phenyltetrahydropyran-4-yl)methanone 6-azaspiro[2.5]octan-6-yl-(4-phe…

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) 2.57 8.48 -7.58 0 3 0 30 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(4-bromophenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(4-…

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) 3.38 9.1 -7.11 0 3 0 30 378.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(4-fluorophenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(4-…

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) 2.73 8.55 -7.75 0 3 0 30 317.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(4-…

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) 2.62 7.78 -7.98 0 4 0 39 329.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-azaspiro[2.5]octan-6-yl-[4-(4-chlorophenyl)tetrahydropyran-4-yl]methanone 6-azaspiro[2.5]octan-6-yl-[4-(4-…

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) 3.25 9 -7.22 0 3 0 30 333.859 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[4-(4-bromophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1S)-6-[4-(4-bromophenyl)tetrahy…

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) 2.86 9.54 -45.09 0 5 -1 70 421.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[4-(4-bromophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1R)-6-[4-(4-bromophenyl)tetrahy…

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) 2.86 9.58 -45.69 0 5 -1 70 421.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[4-(3-bromophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1S)-6-[4-(3-bromophenyl)tetrahy…

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 9.54 -46.45 0 5 -1 70 421.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[4-(3-bromophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1R)-6-[4-(3-bromophenyl)tetrahy…

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 9.59 -47.06 0 5 -1 70 421.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[4-(3-fluorophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1S)-6-[4-(3-fluorophenyl)tetrah…

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) 2.19 8.98 -47.21 0 5 -1 70 360.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[4-(3-fluorophenyl)tetrahydropyran-4-carbonyl]-6-azaspiro[2.5]octane-1-carboxylic (1R)-6-[4-(3-fluorophenyl)tetrah…

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) 2.19 9.03 -47.85 0 5 -1 70 360.405 3 ↓

Parameters Provided:

ring.id = 406248
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 = 406248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=406248&filter.purchasability=annotated

Embed Link to Results