UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16690064
16690064
16690065
16690065
16690139
16690139

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

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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) 3.29 8.25 -35.17 1 6 0 71 346.456 4 ↓

Analogs

16690064
16690064
16690065
16690065
16690139
16690139

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-2-furyl-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-2-furyl-[(3S)-3-m…

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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) 3.29 8.25 -34.41 1 6 0 71 346.456 4 ↓

Analogs

16690080
16690080

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Popular Name: ethyl ethyl

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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) 3.16 9.17 -43.87 1 8 0 97 404.492 7 ↓

Analogs

16690064
16690064
16690065
16690065
16690139
16690139

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-[(3S,5S)-3,5-dimethyl-1-p…

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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) 3.77 8.85 -33.63 1 6 0 71 360.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(2-furyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(R)-[(3S,5S)-3,5-dimethyl-1-p…

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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) 3.77 8.85 -34.05 1 6 0 71 360.483 4 ↓

Parameters Provided:

ring.id = 49279
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 = 49279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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