UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41241798
41241798
39695456
39695456
39695457
39695457

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-cyclopropyl-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-cyclopropyl-4-[4-(3-pheny…

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) 1.42 9.23 -15.72 0 6 0 61 369.465 5 ↓

Analogs

39695456
39695456
39695457
39695457
41241795
41241795

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-cyclopropyl-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-cyclopropyl-4-[4-(3-pheny…

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) 1.42 9.16 -17.79 0 6 0 61 369.465 5 ↓

Analogs

41241938
41241938
39634879
39634879
39634880
39634880
39680693
39680693
39680694
39680694

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-cyclopropyl-4-[4-[3-(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) 1.47 8.52 -17.16 0 7 0 70 399.491 6 ↓

Analogs

39634879
39634879
39634880
39634880
39680693
39680693
39680694
39680694
39684007
39684007

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-cyclopropyl-4-[4-[3-(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) 1.47 8.45 -19.22 0 7 0 70 399.491 6 ↓

Parameters Provided:

ring.id = 528255
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 = 528255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=528255&filter.purchasability=annotated

Embed Link to Results