UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36782829
36782829
36782830
36782830
36786138
36786138

Draw Identity 99% 90% 80% 70%

Popular Name: N1-cyclopropyl-N1-[(1S)-1-cyclopropylethyl]benzene-1,3-dicarboxamide N1-cyclopropyl-N1-[(1S)-1-cyclop…

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) 1.26 5.44 -17.71 2 4 0 63 272.348 5 ↓

Analogs

36782829
36782829
36782830
36782830
36786138
36786138

Draw Identity 99% 90% 80% 70%

Popular Name: N1-cyclopropyl-N1-[(1R)-1-cyclopropylethyl]benzene-1,3-dicarboxamide N1-cyclopropyl-N1-[(1R)-1-cyclop…

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) 1.26 5.44 -16.7 2 4 0 63 272.348 5 ↓

Analogs

36785366
36785366
36785367
36785367
37806997
37806997
37814699
37814699
37814700
37814700

Draw Identity 99% 90% 80% 70%

Popular Name: N1-cyclopropyl-N1-[(1S)-1-cyclopropylethyl]terephthalamide N1-cyclopropyl-N1-[(1S)-1-cyclop…

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) 1.29 5.42 -10.75 2 4 0 63 272.348 5 ↓

Analogs

36785366
36785366
36785367
36785367
36786295
36786295
36786296
36786296
36786312
36786312

Draw Identity 99% 90% 80% 70%

Popular Name: N1-cyclopropyl-N1-[(1R)-1-cyclopropylethyl]terephthalamide N1-cyclopropyl-N1-[(1R)-1-cyclop…

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) 1.29 5.44 -10.8 2 4 0 63 272.348 5 ↓

Parameters Provided:

ring.id = 550461
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 = 550461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=550461&filter.purchasability=annotated

Embed Link to Results