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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41515500
41515500
41521722
41521722
41521724
41521724

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-ethyl-2-furyl)-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-(5-ethyl-2-furyl)-2-(4-me…

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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) 1.78 6.51 -8.63 0 4 0 67 260.318 4 ↓

Analogs

41521722
41521722
41521724
41521724
41515498
41515498

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-ethyl-2-furyl)-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-(5-ethyl-2-furyl)-2-(4-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) 1.78 6.51 -8.54 0 4 0 67 260.318 4 ↓

Analogs

41521724
41521724
41515498
41515498
41515500
41515500

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-methyl-2-furyl)-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2R)-3-(5-methyl-2-furyl)-2-(4-m…

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) 1.20 5.73 -9 0 4 0 67 246.291 3 ↓

Analogs

41515498
41515498
41515500
41515500
41521722
41521722

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-methyl-2-furyl)-2-(4-methylthiazol-2-yl)-3-oxo-propanenitrile (2S)-3-(5-methyl-2-furyl)-2-(4-m…

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) 1.20 5.73 -9.02 0 4 0 67 246.291 3 ↓

Parameters Provided:

ring.id = 538435
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 = 538435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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