UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R)-indan-1-yl]-methyl-amino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione 3-[[[(1R)-indan-1-yl]-methyl-ami…

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) 3.53 9.59 -37.28 1 4 1 35 338.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-indan-1-yl]-methyl-amino]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione 3-[[[(1S)-indan-1-yl]-methyl-ami…

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) 3.53 10.03 -36.67 1 4 1 35 338.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R)-indan-1-yl]-methyl-amino]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione 3-[[[(1R)-indan-1-yl]-methyl-ami…

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) 3.58 8.91 -39 1 5 1 45 368.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-indan-1-yl]-methyl-amino]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione 3-[[[(1S)-indan-1-yl]-methyl-ami…

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) 3.58 9.36 -38.45 1 5 1 45 368.482 5 ↓

Parameters Provided:

ring.id = 123440
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 = 123440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123440&filter.purchasability=annotated

Embed Link to Results