UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12003256
12003256

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-pyrimidin-2-yl-benzamide 3-[(4S)-4-methyl-1,1,3-trioxo-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) 0.81 -4.43 -27.37 1 8 0 109 346.368 3 ↓

Analogs

12003251
12003251

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-pyrimidin-2-yl-benzamide 3-[(4R)-4-methyl-1,1,3-trioxo-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) 0.81 -4.43 -27.31 1 8 0 109 346.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-pyrimidin-2-yl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 4-chloro-N-pyrimidin-2-yl-3-(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) 0.96 -4.58 -27.13 1 8 0 109 366.786 3 ↓

Analogs

12003994
12003994
12004742
12004742

Draw Identity 99% 90% 80% 70%

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

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) 1.44 -4.32 -26.15 1 8 0 109 380.813 3 ↓

Analogs

12004742
12004742
12003990
12003990

Draw Identity 99% 90% 80% 70%

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

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) 1.44 -4.31 -26.1 1 8 0 109 380.813 3 ↓

Analogs

12003990
12003990
12003994
12003994

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-pyrimidin-2-yl-benzamide 4-chloro-3-(4,4-dimethyl-1,1,3-t…

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) 1.85 -3.89 -25.07 1 8 0 109 394.84 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-pyrimidin-2-yl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-pyrimidin-2-yl-5-(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) 0.96 -4.84 -23.97 1 8 0 109 366.786 3 ↓

Analogs

12207223
12207223
12207228
12207228

Draw Identity 99% 90% 80% 70%

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

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) 1.85 -3.94 -21.04 1 8 0 109 394.84 3 ↓

Parameters Provided:

ring.id = 71462
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 = 71462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=71462&filter.purchasability=annotated

Embed Link to Results