UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42436225
42436225
42436226
42436226
42436227
42436227

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole 5-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 1.84 2.87 -42.05 2 5 1 65 252.338 4 ↓

Analogs

42436226
42436226
42436227
42436227
42436224
42436224

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole 5-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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) 1.84 2.81 -38.85 2 5 1 65 252.338 4 ↓

Analogs

42436227
42436227
42436224
42436224
42436225
42436225

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole 5-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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) 1.84 2.75 -41.58 2 5 1 65 252.338 4 ↓

Analogs

42436224
42436224
42436225
42436225
42436226
42436226

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole 5-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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) 1.84 2.69 -40.82 2 5 1 65 252.338 4 ↓

Parameters Provided:

ring.id = 617682
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 = 617682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=617682&filter.purchasability=annotated

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