UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]indoline-5-sulfonamide N,N-diethyl-1-[(5-isopropyl-1,2,…

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) 2.61 6 -12.99 0 7 0 80 378.498 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-2-methylindolin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole 3-[[(2S)-2-methylindolin-1-yl]me…

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) 2.92 7.1 -6.97 0 4 0 42 257.337 4 ↓
Lo Low (pH 4.5-6) 2.92 7.22 -30.42 1 4 1 43 258.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-bromoindolin-1-yl)methyl]-5-isopropyl-1,2,4-oxadiazole 3-[(5-bromoindolin-1-yl)methyl]-…

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) 3.35 6.91 -7.63 0 4 0 42 322.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-bromoindolin-1-yl)methyl]-5-tert-butyl-1,2,4-oxadiazole 3-[(5-bromoindolin-1-yl)methyl]-…

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) 4.02 7.43 -7.52 0 4 0 42 336.233 3 ↓

Parameters Provided:

ring.id = 92449
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 = 92449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=92449&filter.purchasability=annotated

Embed Link to Results