UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(R)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6 5-[(R)-[(2S,6R)-2,6-dimethylmorp…

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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) 2.72 4.49 -48.74 0 7 -1 79 361.447 4 ↓
Mid Mid (pH 6-8) 2.72 3.78 -7.73 1 7 0 76 362.455 4 ↓
Lo Low (pH 4.5-6) 2.72 6.05 -35.18 2 7 1 77 363.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6 5-[(S)-[(2S,6R)-2,6-dimethylmorp…

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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) 2.72 4.47 -48.78 0 7 -1 79 361.447 4 ↓
Mid Mid (pH 6-8) 2.72 3.76 -7.8 1 7 0 76 362.455 4 ↓
Lo Low (pH 4.5-6) 2.72 6.05 -35.25 2 7 1 77 363.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6 5-[(R)-[(2R,6R)-2,6-dimethylmorp…

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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) 2.72 4.78 -48.5 0 7 -1 79 361.447 4 ↓
Mid Mid (pH 6-8) 2.72 4.07 -7.5 1 7 0 76 362.455 4 ↓
Lo Low (pH 4.5-6) 2.72 6.01 -34.78 2 7 1 77 363.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6 5-[(S)-[(2R,6R)-2,6-dimethylmorp…

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) 2.72 4.77 -48.61 0 7 -1 79 361.447 4 ↓
Mid Mid (pH 6-8) 2.72 4.06 -7.54 1 7 0 76 362.455 4 ↓
Lo Low (pH 4.5-6) 2.72 6.01 -34.84 2 7 1 77 363.463 4 ↓

Parameters Provided:

ring.id = 557727
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 = 557727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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