UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4890619
4890619
4891239
4891239
4883288
4883288

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-chlorophenyl)-2,2-dimethyl-…

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) 2.31 4.2 -6.21 1 2 0 26 238.743 1 ↓
Hi High (pH 8-9.5) 2.31 4.31 -25.43 1 2 0 26 238.743 1 ↓
Hi High (pH 8-9.5) 2.31 3.43 -37.39 0 2 -1 25 237.735 1 ↓

Analogs

4891239
4891239
4883288
4883288
4890619
4890619

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-bromophenyl)-2,2-dimethyl-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) 2.44 4.31 -6.18 1 2 0 26 283.194 1 ↓
Hi High (pH 8-9.5) 2.44 4.42 -25.35 1 2 0 26 283.194 1 ↓
Hi High (pH 8-9.5) 2.44 3.53 -37.25 0 2 -1 25 282.186 1 ↓

Analogs

4890619
4890619

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-2,2-dimethyl-3H-imidazole-4-thione 5-(3,4-dichlorophenyl)-2,2-dimet…

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) 1.96 -4.55 -8.87 1 2 0 24 273.188 1 ↓

Parameters Provided:

ring.id = 249723
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 = 249723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249723&filter.purchasability=annotated

Embed Link to Results