UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25256290
25256290

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylthiazol-2-yl)-3-(4-bromophenyl)sulfanyl-propanamide N-(4-acetylthiazol-2-yl)-3-(4-br…

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) 3.45 7.91 -10.39 1 4 0 59 385.308 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-(2-fluorophenyl)sulfanyl-propanamide N-[4-(2-amino-2-oxo-ethyl)thiazo…

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) 1.77 4.44 -18.21 3 5 0 85 339.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-(4-cyanophenyl)sulfanyl-propanamide N-[4-(2-amino-2-oxo-ethyl)thiazo…

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) 1.40 4.67 -19.1 3 6 0 109 346.437 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)sulfanyl-N-(4,5-dimethylthiazol-2-yl)propanamide 3-(4-bromophenyl)sulfanyl-N-(4,5…

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) 3.75 8.96 -13.28 1 3 0 42 371.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromophenyl)sulfanyl-N-(4-methylthiazol-2-yl)propanamide 3-(2-bromophenyl)sulfanyl-N-(4-m…

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) 3.48 7.84 -9.57 1 3 0 42 357.298 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)sulfanyl-N-(5-methylthiazol-2-yl)propanamide 3-(4-bromophenyl)sulfanyl-N-(5-m…

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) 3.53 8.46 -12.94 1 3 0 42 357.298 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylthiazol-2-yl)-3-phenylsulfanyl-propanamide N-(4-acetylthiazol-2-yl)-3-pheny…

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) 2.64 7.29 -10.54 1 4 0 59 306.412 6 ↓

Parameters Provided:

ring.id = 64177
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 = 64177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64177&filter.purchasability=annotated

Embed Link to Results