UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-BLAHylsulfanyl-acetamide N-(2,4-dimethylphenyl)-2-BLAHyls…

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) 5.43 11.04 -18.21 1 5 0 68 398.491 4 ↓

Analogs

36635157
36635157

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,6-dimethylphenyl)-2-BLAHylsulfanyl-propanamide (2R)-N-(2,6-dimethylphenyl)-2-BL…

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) 4.83 12.1 -17.73 1 5 0 68 412.518 4 ↓

Analogs

36635156
36635156

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,6-dimethylphenyl)-2-BLAHylsulfanyl-propanamide (2S)-N-(2,6-dimethylphenyl)-2-BL…

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) 4.83 11.76 -17.3 1 5 0 68 412.518 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-pyridylmethylsulfanylBLAH 3-pyridylmethylsulfanylBLAH

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) 4.16 9.46 -15.51 0 4 0 52 328.4 3 ↓

Parameters Provided:

ring.id = 100942
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 = 100942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100942&filter.purchasability=annotated

Embed Link to Results