UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dithiolan-2-yl)-N-(4-methylsulfanylphenyl)-benzamide 4-(1,3-dithiolan-2-yl)-N-(4-meth…

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) 4.12 -1.07 -11.17 1 2 0 29 347.53 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dithiolan-2-yl)-N-(3-ethynylphenyl)benzamide 4-(1,3-dithiolan-2-yl)-N-(3-ethy…

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) 3.42 10.7 -15.94 1 2 0 29 325.458 3 ↓

Analogs

6259031
6259031
6329076
6329076

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-4-(1,3-dithiolan-2-yl)benzamide N-(3,4-dimethoxyphenyl)-4-(1,3-d…

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) 3.33 8.76 -12.78 1 4 0 48 361.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dithiolan-2-yl)-N-[4-(ethyl-isopropyl-amino)phenyl]-benzamide 4-(1,3-dithiolan-2-yl)-N-[4-(eth…

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) 4.84 -0.05 -10.57 1 3 0 32 386.586 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dithiolan-2-yl)-N-(3-iodophenyl)benzamide 4-(1,3-dithiolan-2-yl)-N-(3-iodo…

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) 4.74 10.68 -8.39 1 2 0 29 427.332 3 ↓

Parameters Provided:

ring.id = 84381
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 = 84381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84381&filter.purchasability=annotated

Embed Link to Results