UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiadiazol-5-amine 4-([1,2,4]triazolo[4,3-a]pyridin…

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) 1.72 4.06 -16.49 2 6 0 82 264.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiadiazol-5-amine N-methyl-4-([1,2,4]triazolo[4,3-…

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) 2.09 5.09 -16.39 1 6 0 68 278.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiadiazol-5-amine N-ethyl-4-([1,2,4]triazolo[4,3-a…

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) 2.47 5.92 -15.61 1 6 0 68 292.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiadiazol-5-amine N-propyl-4-([1,2,4]triazolo[4,3-…

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) 2.97 6.68 -15.3 1 6 0 68 306.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiadiazol-5-yl]hydrazine [4-([1,2,4]triazolo[4,3-a]pyridi…

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) 1.48 3.85 -16.59 3 7 0 94 279.354 4 ↓
Lo Low (pH 4.5-6) 1.48 3.68 -64.66 4 7 1 96 280.362 4 ↓

Parameters Provided:

ring.id = 214283
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 = 214283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=214283&filter.purchasability=annotated

Embed Link to Results