UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-piperazine-1-sulfonamide N-cyclopropyl-N-ethyl-piperazine…

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) -0.24 0.27 -7.9 1 5 0 53 233.337 4 ↓
Mid Mid (pH 6-8) -0.24 1.52 -51.97 2 5 1 57 234.345 4 ↓

Analogs

51649925
51649925
20247593
20247593
20247310
20247310

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-piperazine-1-sulfonamide N-cyclopropyl-N-methyl-piperazin…

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) -0.62 -0.52 -7.71 1 5 0 53 219.31 3 ↓
Mid Mid (pH 6-8) -0.62 0.74 -51.1 2 5 1 57 220.318 3 ↓

Analogs

20247310
20247310
20247312
20247312

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-propyl-piperazine-1-sulfonamide N-cyclopropyl-N-propyl-piperazin…

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) 0.26 1.03 -7.84 1 5 0 53 247.364 5 ↓
Mid Mid (pH 6-8) 0.26 2.29 -52.18 2 5 1 57 248.372 5 ↓

Parameters Provided:

ring.id = 138116
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 = 138116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=138116&filter.purchasability=annotated

Embed Link to Results