UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2-ethoxyphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-dia…

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) 1.45 4.43 -16.53 2 7 0 88 349.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2-ethoxyphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-dia…

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) 1.45 4.48 -18.82 2 7 0 88 349.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2,4,6-trichlorophenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-dia…

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) 2.95 5.97 -15.14 2 6 0 79 408.694 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(2,4,6-trichlorophenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-dia…

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) 2.95 5.99 -17.45 2 6 0 79 408.694 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethylphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-dia…

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) 1.98 5.52 -17.49 2 6 0 79 333.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethylphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-dia…

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) 1.98 5.52 -20.05 2 6 0 79 333.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(4-bromophenyl)-2-[(5S)-1,3-di…

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) 1.87 4.71 -17.32 2 6 0 79 384.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(4-bromophenyl)-2-[(5R)-1,3-di…

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) 1.87 4.71 -19.75 2 6 0 79 384.255 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethoxyphenyl)acetamide 2-[(5S)-1,3-dioxo-7-thia-2,4-dia…

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) 1.49 4.3 -19.09 2 7 0 88 349.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]-N-(4-ethoxyphenyl)acetamide 2-[(5R)-1,3-dioxo-7-thia-2,4-dia…

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) 1.49 4.34 -20.63 2 7 0 88 349.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-[(5S)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[(5S)-…

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) 1.10 2.83 -17.2 2 8 0 97 365.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-[(5R)-1,3-dioxo-7-thia-2,4-diazaspiro[4.4]nonan-2-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[(5R)-…

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) 1.10 2.78 -17.37 2 8 0 97 365.411 5 ↓

Parameters Provided:

ring.id = 99396
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 = 99396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=99396&filter.purchasability=annotated

Embed Link to Results