UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(5-methylisoxazol-3-yl)-4-(1,1…

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) 0.59 -3.05 -21.33 1 8 0 110 335.341 3 ↓

Analogs

12022281
12022281
12023039
12023039

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(5-methylisoxazol-3-yl)-4-[(4S…

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) 1.06 -2.77 -19.94 1 8 0 110 349.368 3 ↓

Analogs

12023039
12023039
12022274
12022274

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(5-methylisoxazol-3-yl)-4-[(4R…

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) 1.06 -2.76 -19.78 1 8 0 110 349.368 3 ↓

Analogs

12022274
12022274
12022281
12022281

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(5-methylisoxazol-3-yl)benzamide 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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) 1.48 -2.36 -18.73 1 8 0 110 363.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(5-methylisoxazol-3-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(5-methylisoxazol-3-y…

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) 1.19 -3.17 -21.67 1 8 0 110 369.786 3 ↓

Analogs

12025554
12025554

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(5-methylisoxazol-3-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide 2-chloro-N-(5-methylisoxazol-3-y…

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) 1.67 -2.89 -20.51 1 8 0 110 383.813 3 ↓

Analogs

12025550
12025550

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(5-methylisoxazol-3-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide 2-chloro-N-(5-methylisoxazol-3-y…

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) 1.67 -2.67 -20.11 1 8 0 110 383.813 3 ↓

Parameters Provided:

ring.id = 75515
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 = 75515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75515&filter.purchasability=annotated

Embed Link to Results