UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42633158
42633158

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isobutyl-5-[(1-methylimidazol-…

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) 1.91 5.4 -8.68 0 5 0 57 252.343 5 ↓
Mid Mid (pH 6-8) 1.91 5.74 -35.09 1 5 1 58 253.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-isopentyl-1,2,4-oxadiazole 5-[(1-ethylimidazol-2-yl)sulfany…

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) 2.81 6.99 -8.28 0 5 0 57 280.397 7 ↓
Mid Mid (pH 6-8) 2.81 7.47 -34.85 1 5 1 58 281.405 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopentyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isopentyl-5-[(1-methylimidazol…

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 6.09 -8.54 0 5 0 57 266.37 6 ↓
Mid Mid (pH 6-8) 2.44 6.58 -35.2 1 5 1 58 267.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-methyl-5-[(1-methylimidazol-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) 0.59 3.4 -9.49 0 5 0 57 210.262 3 ↓
Mid Mid (pH 6-8) 0.59 3.89 -35.82 1 5 1 58 211.27 3 ↓

Parameters Provided:

ring.id = 574640
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 = 574640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=574640&filter.purchasability=annotated

Embed Link to Results