UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylamin…

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) 1.59 8.35 -37.42 2 4 1 46 275.372 7 ↓
Hi High (pH 8-9.5) 1.59 7.06 -7.96 1 4 0 42 274.364 7 ↓

Analogs

52189706
52189706
52220505
52220505
52220506
52220506
52220631
52220631
58231619
58231619

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(cyclopropylamino)-N-[(3,4-dichlorophenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylamin…

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) 2.86 8.57 -40.37 2 3 1 37 314.236 6 ↓
Hi High (pH 8-9.5) 2.86 7.28 -6.69 1 3 0 32 313.228 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(cyclopropylamino)-N-[(3-hydroxyphenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylamin…

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) 1.08 4.75 -40.37 3 4 1 57 261.345 6 ↓
Hi High (pH 8-9.5) 1.08 3.46 -8.72 2 4 0 53 260.337 6 ↓

Parameters Provided:

ring.id = 577702
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 = 577702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=577702&filter.purchasability=annotated

Embed Link to Results