UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816467
11816467
34945194
34945194
34945195
34945195
39689342
39689342
39689343
39689343

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[(3S)-1-methyl-3-piperidyl]methyl]-N-phenethyl-benzamide 3-chloro-N-[[(3S)-1-methyl-3-pip…

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) 4.17 1.72 -49.32 1 3 1 25 371.932 6 ↓

Analogs

34945194
34945194
34945195
34945195
39689342
39689342
39689343
39689343
39689368
39689368

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[[(3R)-1-methyl-3-piperidyl]methyl]-N-phenethyl-benzamide 3-chloro-N-[[(3R)-1-methyl-3-pip…

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) 4.17 2.02 -35.69 1 3 1 25 371.932 6 ↓

Analogs

12226377
12226377
39637595
39637595
39637596
39637596
39638815
39638815
39638816
39638816

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[[(3R)-1-methyl-3-piperidyl]methyl]-N-phenethyl-benzamide 2,6-difluoro-N-[[(3R)-1-methyl-3…

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) 3.74 3.25 -42.18 1 3 1 25 373.467 6 ↓

Analogs

39637595
39637595
39637596
39637596
39638815
39638815
39638816
39638816
39689314
39689314

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[[(3S)-1-methyl-3-piperidyl]methyl]-N-phenethyl-benzamide 2,6-difluoro-N-[[(3S)-1-methyl-3…

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) 3.74 3.45 -43.55 1 3 1 25 373.467 6 ↓

Parameters Provided:

ring.id = 49014
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 = 49014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=49014&filter.purchasability=annotated

Embed Link to Results