UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-(3-phenylpropylideneamino)triazole-4-ca 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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) 3.13 9.25 -32.44 4 11 1 142 440.532 12 ↓
Mid Mid (pH 6-8) 3.13 7.03 -9.68 3 11 0 140 439.524 12 ↓

Analogs

25763956
25763956

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-(3-phenylpropylideneamino)triazole-4-ca 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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) 3.13 9.18 -32.71 4 11 1 142 440.532 12 ↓
Mid Mid (pH 6-8) 3.13 6.99 -9.49 3 11 0 140 439.524 12 ↓

Analogs

15936872
15936872

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-(3-phenylpropylideneamino)triazole-4-carb 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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) 1.38 6.45 -35.85 4 11 1 142 384.424 8 ↓
Mid Mid (pH 6-8) 1.38 3.93 -10.42 3 11 0 140 383.416 8 ↓

Analogs

25763956
25763956
15936871
15936871

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-(3-phenylpropylideneamino)triazole-4-carb 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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) 1.38 6.38 -36.01 4 11 1 142 384.424 8 ↓
Mid Mid (pH 6-8) 1.38 3.85 -10.42 3 11 0 140 383.416 8 ↓

Parameters Provided:

ring.id = 254104
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 = 254104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254104&filter.purchasability=annotated

Embed Link to Results